
 CHEMBL143947

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL143947

>  <PubChem CID>
10527882

>  <Formula>
C27H34N6O

>  <Molecular Weight>
458.610000

>  <IUPAC Name>
(1R,2R)-1-phenyl-1-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-2-ol

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C(C1=CC=CC=C1)NC2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5)O

>  <Isomeric SMILES>
C[C@H]([C@@H](C1=CC=CC=C1)NC2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5)O

>  <InChI Std. ID>
InChI=1S/C27H34N6O/c1-20(34)27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-18-29-30-19-33/h2-4,6-7,9-10,16-20,23,27-28,31,34H,5,8,11-15H2,1H3/t20-,27+/m1/s1

>  <InChI Key>
AMZZHMUOOCFWEG-HRFSGMKKSA-N

