
 CHEMBL553617

100104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL553617

>  <PubChem CID>
45264718

>  <Formula>
C39H49Cl3N4O5

>  <Molecular Weight>
760.194000

>  <IUPAC Name>
[(3R)-3-(3,4-dichlorophenyl)-3-[2-[4-(4-methylpiperazine-1-carbonyl)-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C2(CCN(CC2)CCC3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)Cl)Cl)C6=CC=CC=C6.Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)C2(CCN(CC2)CC[C@@]3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)Cl)Cl)C6=CC=CC=C6.Cl

>  <InChI Std. ID>
InChI=1S/C39H48Cl2N4O5.ClH/c1-42-20-22-44(23-21-42)37(47)39(29-8-6-5-7-9-29)14-17-43(18-15-39)16-12-38(30-10-11-31(40)32(41)26-30)13-19-45(27-38)36(46)28-24-33(48-2)35(50-4)34(25-28)49-3;/h5-11,24-26H,12-23,27H2,1-4H3;1H/t38-;/m0./s1

>  <InChI Key>
RFAAWBVKOSQZKH-KYYDUREMSA-N

