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Summary Geometry Related PDB entries

4US

Summary

Name:	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide
Formula:	C25 H23 Cl N4 O2
Formal charge:	0
Formula weight:	446.929 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide
OpenEye OEToolkits	1.9.2	4-(2-chlorophenyl)-7-(4-methylpiperazin-1-yl)carbonyl-9H-carbazole-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(C(=O)N1CCN(CC1)C)cc3nc5c(c23)c(c4c(cccc4)Cl)ccc5C(=O)N
InChI	InChI	1.03	InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
InChIKey	InChI	1.03	YICBVOVZLQDBBM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)C(=O)c2ccc3c([nH]c4c(ccc(c5ccccc5Cl)c34)C(N)=O)c2
SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)c2ccc3c([nH]c4c(ccc(c5ccccc5Cl)c34)C(N)=O)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl
SMILES	OpenEye OEToolkits	1.9.2	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl

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