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Summary Geometry Related PDB entries

N6O

Summary

Name:	(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
Formula:	C19 H16 Cl F N4 O2
Formal charge:	0
Formula weight:	386.807 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{S})-3-azanyl-1-(3-chlorophenyl)-3-oxidanylidene-propyl]-3-(2-fluorophenyl)-1~{H}-pyrazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F
InChI	InChI	1.03	InChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1
InChIKey	InChI	1.03	IURDZXWYYGBBOU-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)C[C@H](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3
SMILES	CACTVS	3.385	NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccccc2F)c3cccc(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(c[nH]n2)C(=O)N[C@@H](CC(=O)N)c3cccc(c3)Cl)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(c[nH]n2)C(=O)NC(CC(=O)N)c3cccc(c3)Cl)F

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