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KX9 : Summary
Code ![](/pdbe/static/images/help.png)
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KX9
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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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(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
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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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C17 H15 Cl N4 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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326.78 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 |
Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1 |
SMILES
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CACTVS |
3.385 |
C[CH](C(=O)Nc1cnccc1n2cccn2)c3cccc(Cl)c3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3 |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](C(=O)Nc1cnccc1n2cccn2)c3cccc(Cl)c3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LMUJWKIRCRWFKF-GFCCVEGCSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (23 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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2023-08-14
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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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