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Summary Geometry Related PDB entries

O0W

Summary

Name:	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
Formula:	C21 H22 N4 O2
Formal charge:	0
Formula weight:	362.425 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3
InChIKey	InChI	1.03	ZDDPECPWLZOLGO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O
SMILES	CACTVS	3.385	CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C

227111

數據於2024-11-06公開中

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