
 CHEMBL3963795

 83 89  0  0  0  0  0  0  0  0999 V2000
    1.2726    1.9055   -1.3967 C   0  0  0  0  0
    1.6336    0.8296   -0.3573 C   0  0  0  0  0
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    3.3992    0.1722    1.2013 C   0  0  0  0  0
    4.7099    0.7062    1.8147 C   0  0  0  0  0
    4.0578    0.8685    3.1074 O   0  0  0  0  0
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    1.7788    2.6429   -6.0403 H   0  0  0  0  0
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    0.6037    1.0127   -9.2711 H   0  0  0  0  0
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    5.4697   -6.7692   -1.9364 H   0  0  0  0  0
    4.1043   -4.7701   -2.2806 H   0  0  0  0  0
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   -1.9094   -7.5391   -2.1439 H   0  0  0  0  0
   -1.2330   -6.5819   -3.4559 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3963795

>  <PubChem CID>
134150955

>  <Formula>
C34H42N6O

>  <Molecular Weight>
550.751000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCN1C2COC2)C3=NC(=NC4=C3CN(CC4)C5=C(C=CC(=C5)C(C)C)C)C6=C7C(=CNC7=CC=C6)C

>  <Isomeric SMILES>
C[C@H]1CN(CCN1C2COC2)C3=NC(=NC4=C3CN(CC4)C5=C(C=CC(=C5)C(C)C)C)C6=C7C(=CNC7=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C34H42N6O/c1-21(2)25-10-9-22(3)31(15-25)38-12-11-29-28(18-38)34(39-13-14-40(24(5)17-39)26-19-41-20-26)37-33(36-29)27-7-6-8-30-32(27)23(4)16-35-30/h6-10,15-16,21,24,26,35H,11-14,17-20H2,1-5H3/t24-/m0/s1

>  <InChI Key>
AYRMOQFMFRYWDZ-DEOSSOPVSA-N

