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Summary Geometry Related PDB entries

1EL

Summary

Name:	9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
Formula:	C17 H14 N2 O2
Formal charge:	0
Formula weight:	278.305 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
OpenEye OEToolkits	1.7.0	9-hydroxy-5,11-dimethyl-4,6-dihydropyrido[4,3-b]carbazol-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C
SMILES_CANONICAL	CACTVS	3.370	Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34
SMILES	CACTVS	3.370	Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2
SMILES	OpenEye OEToolkits	1.7.0	Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2
InChI	InChI	1.03	InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3
InChIKey	InChI	1.03	BYVREUYOPILHPU-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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