
 CHEMBL145302

 91 94  0  0  0  0  0  0  0  0999 V2000
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    5.6923    4.4394   -1.2051 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL145302

>  <PubChem CID>
44215306

>  <Formula>
C34H43Cl2F6N3O3

>  <Molecular Weight>
726.626000

>  <IUPAC Name>
2-[1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]piperidin-2-yl]ethanol

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CON=C(COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(CCN2CCC(CC2)CN3CCCCC3CCO)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(CCN2CCC(CC2)CN3CCCCC3CCO)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H43Cl2F6N3O3/c1-47-43-32(22-48-21-24-16-26(33(37,38)39)19-27(17-24)34(40,41)42)29(25-5-6-30(35)31(36)18-25)9-14-44-12-7-23(8-13-44)20-45-11-3-2-4-28(45)10-15-46/h5-6,16-19,23,28-29,46H,2-4,7-15,20-22H2,1H3/b43-32+

>  <InChI Key>
AUQCRJDJIAOZCU-WUGRJRDASA-N

