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Summary Geometry Related PDB entries

H9K

Summary

Name:	3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
Formula:	C22 H16 N2 O2
Formal charge:	0
Formula weight:	340.375 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
OpenEye OEToolkits	1.7.6	3-[4-(4-hydroxyphenyl)phenyl]-2,4-dihydroindeno[1,2-c]pyrazol-6-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4ccc(O)cc4C5
InChI	InChI	1.03	InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
InChIKey	InChI	1.03	YHNRFNJYCLUDHD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Oc1ccc(cc1)c2ccc(cc2)c3[nH]nc4c3Cc5cc(O)ccc45
SMILES	CACTVS	3.370	Oc1ccc(cc1)c2ccc(cc2)c3[nH]nc4c3Cc5cc(O)ccc45
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O

223532

PDB entries from 2024-08-07

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