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Summary Geometry Related PDB entries

UM6

Summary

Name:	7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
Formula:	C18 H15 Cl F N3 O
Formal charge:	0
Formula weight:	343.783 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	7-chloranyl-4-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H15ClFN3O/c19-12-6-7-15-16(10-12)23(14-4-2-1-3-5-14)18(24)21-17(15)22-9-8-13(20)11-22/h1-7,10,13H,8-9,11H2/t13-/m1/s1
InChIKey	InChI	1.06	GPTUSHRRTGGGTD-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	F[C@@H]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24
SMILES	CACTVS	3.385	F[CH]1CCN(C1)C2=NC(=O)N(c3ccccc3)c4cc(Cl)ccc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CC[C@H](C4)F)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F)Cl

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