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Summary Geometry Related PDB entries

7MV

Summary

Name:	N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide
Formula:	C23 H18 Cl F N2 O
Formal charge:	0
Formula weight:	392.853 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide
OpenEye OEToolkits	2.0.6	1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-~{N}-(phenylmethyl)indole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccccc1)NC(=O)c4ccc3c(ccn3Cc2cc(c(cc2)Cl)F)c4
InChI	InChI	1.03	InChI=1S/C23H18ClFN2O/c24-20-8-6-17(12-21(20)25)15-27-11-10-18-13-19(7-9-22(18)27)23(28)26-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,28)
InChIKey	InChI	1.03	BYYJMWFBVAZQMV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(Cn2ccc3cc(ccc23)C(=O)NCc4ccccc4)ccc1Cl
SMILES	CACTVS	3.385	Fc1cc(Cn2ccc3cc(ccc23)C(=O)NCc4ccccc4)ccc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl

223166

건을2024-07-31부터공개중

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