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Summary Geometry Related PDB entries

7NH

Summary

Name:	[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
Formula:	C21 H18 N4 O2
Formal charge:	0
Formula weight:	358.393 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-{[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]pyridin-2-yl)biphenyl-3-yl]methyl}urea
OpenEye OEToolkits	1.5.0	[3-[2-hydroxy-3-(1H-pyrrolo[4,5-c]pyridin-2-yl)phenyl]phenyl]methylurea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)NCc1cccc(c1)c4cccc(c3cc2c(ccnc2)n3)c4O
SMILES_CANONICAL	CACTVS	3.341	NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3
SMILES	CACTVS	3.341	NC(=O)NCc1cccc(c1)c2cccc(c2O)c3[nH]c4ccncc4c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N
InChI	InChI	1.03	InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27)
InChIKey	InChI	1.03	SRPOHNDQBDHONJ-UHFFFAOYSA-N

218853

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