
 CHEMBL310703

 82 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL310703

>  <PubChem CID>
10394952

>  <Formula>
C31H36Cl2F6N4O3

>  <Molecular Weight>
697.544000

>  <IUPAC Name>
2-[4-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CON=C(COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(CCN2CCN(CC2)CC(=O)N3CCCC3)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CO/N=C(\COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C(CCN2CCN(CC2)CC(=O)N3CCCC3)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C31H36Cl2F6N4O3/c1-45-40-28(20-46-19-21-14-23(30(34,35)36)17-24(15-21)31(37,38)39)25(22-4-5-26(32)27(33)16-22)6-9-41-10-12-42(13-11-41)18-29(44)43-7-2-3-8-43/h4-5,14-17,25H,2-3,6-13,18-20H2,1H3/b40-28+

>  <InChI Key>
BIAFEJMLZNVRCH-JFXHSDHMSA-N

