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Summary Geometry Related PDB entries

F10

Summary

Name:	2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:	C18 H14 F N3 O
Formal charge:	0
Formula weight:	307.322 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
OpenEye OEToolkits	1.5.0	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4
SMILES_CANONICAL	CACTVS	3.341	Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3
SMILES	CACTVS	3.341	Fc1ccccc1c2cc(ccn2)c3[nH]c4CCNC(=O)c4c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F
InChI	InChI	1.03	InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
InChIKey	InChI	1.03	XJJYJNMNYDNXNO-UHFFFAOYSA-N

218500

數據於2024-04-17公開中

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