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QZL : Summary
Code ![](/pdbe/static/images/help.png)
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QZL
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C24 H25 Cl N4 O3 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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484.998 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1 |
SMILES
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CACTVS |
3.385 |
C[CH]1CCN(C1)[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CCN(C1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1CCN(C1)[S](=O)(=O)N2C[C@@H](C(=O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H]1CCN(C1)S(=O)(=O)N2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DHYOVGSVGPDDRX-OPAMFIHVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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58 (33 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2023-08-21
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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