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Summary

Name:	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:	C17 H15 N5 O S
Formal charge:	0
Formula weight:	337.399 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
OpenEye OEToolkits	1.9.2	7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazolo[3,4-b]pyridin-6-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=1C(N(c2c(C=1)c(nn2)c4sc(c3cccnc3)nc4)CCC)=O
InChI	InChI	1.03	InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
InChIKey	InChI	1.03	VOOCDNWLHBWIJZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCN1C(=O)C=Cc2c1[nH]nc2c3sc(nc3)c4cccnc4
SMILES	CACTVS	3.385	CCCN1C(=O)C=Cc2c1[nH]nc2c3sc(nc3)c4cccnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O
SMILES	OpenEye OEToolkits	1.9.2	CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O

222415

건을2024-07-10부터공개중

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