
 CHEMBL3936892

 76 81  0  0  0  0  0  0  0  0999 V2000
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    6.5578    8.8222   -0.7209 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3936892

>  <PubChem CID>
134149176

>  <Formula>
C31H38N6O

>  <Molecular Weight>
510.686000

>  <IUPAC Name>
(3S)-4-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1COCCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C(C=CC6=NNC(=C65)C)C

>  <Isomeric SMILES>
C[C@H]1COCCN1C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C(C=CC6=NNC(=C65)C)C

>  <InChI Std. ID>
InChI=1S/C31H38N6O/c1-18(2)23-9-7-19(3)27(15-23)36-12-11-25-24(16-36)31(37-13-14-38-17-21(37)5)33-30(32-25)28-20(4)8-10-26-29(28)22(6)34-35-26/h7-10,15,18,21H,11-14,16-17H2,1-6H3,(H,34,35)/t21-/m0/s1

>  <InChI Key>
BQPSULXVYOMPJL-NRFANRHFSA-N

