
 CHEMBL420051

100105  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL420051

>  <PubChem CID>
44321147

>  <Formula>
C41H54N4O

>  <Molecular Weight>
618.910000

>  <IUPAC Name>
1-(8-azaspiro[4.5]decan-8-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one

>  <XlogP>
9.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCC5(CCCC5)CC4)C(C)CNCCCCC6=CC=NC=C6)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCC5(CCCC5)CC4)[C@H](C)CNCCCCC6=CC=NC=C6)C

>  <InChI Std. ID>
InChI=1S/C41H54N4O/c1-29-24-30(2)26-33(25-29)38-37(31(3)28-43-19-9-6-10-32-13-20-42-21-14-32)35-27-34(11-12-36(35)44-38)40(4,5)39(46)45-22-17-41(18-23-45)15-7-8-16-41/h11-14,20-21,24-27,31,43-44H,6-10,15-19,22-23,28H2,1-5H3/t31-/m1/s1

>  <InChI Key>
AOVBJNVFOOZDSI-WJOKGBTCSA-N

