
 CHEMBL3646919

 80 85  0  0  0  0  0  0  0  0999 V2000
    1.3807    1.8493   -1.4599 C   0  0  0  0  0
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    1.4678    0.7668   -5.7804 H   0  0  0  0  0
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    4.0225   -9.3406   -2.0928 H   0  0  0  0  0
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    2.9641   -4.2151    1.7355 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3646919

>  <PubChem CID>
71240465

>  <Formula>
C33H41N5O

>  <Molecular Weight>
523.725000

>  <IUPAC Name>
4-[(3S,4S)-4-methoxy-3-methylpiperidin-1-yl]-2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CCC1OC)C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C6C(=CNC6=CC=C5)C

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@@H]1OC)C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C6C(=CNC6=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C33H41N5O/c1-20(2)24-11-10-21(3)29(16-24)37-14-12-27-26(19-37)33(38-15-13-30(39-6)23(5)18-38)36-32(35-27)25-8-7-9-28-31(25)22(4)17-34-28/h7-11,16-17,20,23,30,34H,12-15,18-19H2,1-6H3/t23-,30-/m0/s1

>  <InChI Key>
BFWRYQRIENLSFO-JHOBJCJYSA-N

