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Summary Geometry Related PDB entries

6V4

Summary

Name:	N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
Formula:	C32 H34 N6 O4 S
Formal charge:	0
Formula weight:	598.715 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	~{N}-[4-(4-methylpiperazin-1-yl)carbonyl-2-propan-2-yloxy-phenyl]-2-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C32H34N6O4S/c1-21(2)42-28-19-23(31(40)38-16-14-37(3)15-17-38)12-13-26(28)35-29(39)27-20-43-30(36-27)22-8-7-11-25(18-22)34-32(41)33-24-9-5-4-6-10-24/h4-13,18-21H,14-17H2,1-3H3,(H,35,39)(H2,33,34,41)
InChIKey	InChI	1.03	YHONMSVJCMGHMF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)N5CCN(C)CC5
SMILES	CACTVS	3.385	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(NC(=O)Nc4ccccc4)c3)C(=O)N5CCN(C)CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C
SMILES	OpenEye OEToolkits	2.0.5	CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C

221716

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