
 CHEMBL3646911

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3646911

>  <PubChem CID>
71240589

>  <Formula>
C33H41N5O

>  <Molecular Weight>
523.725000

>  <IUPAC Name>
3,3-dimethyl-1-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C(C)C)N2CCC3=C(C2)C(=NC(=N3)C4=C5C(=CNC5=CC=C4)C)N6CCC(C(C6)(C)C)O

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C(C)C)N2CCC3=C(C2)C(=NC(=N3)C4=C5C(=CNC5=CC=C4)C)N6CCC(C(C6)(C)C)O

>  <InChI Std. ID>
InChI=1S/C33H41N5O/c1-20(2)23-11-10-21(3)28(16-23)37-14-12-26-25(18-37)32(38-15-13-29(39)33(5,6)19-38)36-31(35-26)24-8-7-9-27-30(24)22(4)17-34-27/h7-11,16-17,20,29,34,39H,12-15,18-19H2,1-6H3

>  <InChI Key>
CLMCBMOVKNOTSB-UHFFFAOYSA-N

