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Summary Geometry Related PDB entries

U7X

Summary

Name:	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Formula:	C24 H19 F2 N5 O2
Formal charge:	0
Formula weight:	447.437 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28)
InChIKey	InChI	1.06	QEASMQZYZCGOSA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6
SMILES	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc2cc(ccc2n1)C3=Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc2cc(ccc2n1)C3=Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC(F)F

227344

건을2024-11-13부터공개중

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