
 CHEMBL1681849

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1681849

>  <PubChem CID>
53318560

>  <Formula>
C30H33Cl2F2N5O

>  <Molecular Weight>
588.525000

>  <IUPAC Name>
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=C(C=C(C=N4)C(=O)NCC5=CC(=C(C=C5)F)F)Cl

>  <Isomeric SMILES>
C[C@H]1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=C(C=C(C=N4)C(=O)NCC5=CC(=C(C=C5)F)F)Cl

>  <InChI Std. ID>
InChI=1S/C30H33Cl2F2N5O/c1-20-18-38(12-13-39(20)25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)29-26(32)15-23(17-35-29)30(40)36-16-22-4-7-27(33)28(34)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m0/s1

>  <InChI Key>
KXOXGMSSGWQNPP-FQEVSTJZSA-N

