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73S : Summary
Code ![](/pdbe/static/images/help.png)
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73S
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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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2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-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 H16 Cl N7 O
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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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453.883 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1ncc(Cl)c(n1)C(=O)N[CH]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5 |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ncc(Cl)c(n1)C(=O)N[C@@H]2c3ccccc3c4c2cccc4c5[nH]c6ccncc6n5 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H16ClN7O/c25-16-10-28-24(26)32-21(16)23(33)31-20-13-5-2-1-4-12(13)19-14(20)6-3-7-15(19)22-29-17-8-9-27-11-18(17)30-22/h1-11,20H,(H,29,30)(H,31,33)(H2,26,28,32)/t20-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RCHSWIOHLXMCES-HXUWFJFHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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49 (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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2016-08-19
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Last modified at ![](/pdbe/static/images/help.png)
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2017-08-18
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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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