
 CHEMBL3646936

 85 90  0  0  0  0  0  0  0  0999 V2000
    4.8709    0.8838   -0.6176 C   0  0  0  0  0
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    3.8244   10.8999   -1.5831 H   0  0  0  0  0
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    3.2644    7.9588   -0.1737 H   0  0  0  0  0
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    3.2984    2.4784   -3.3660 H   0  0  0  0  0
    2.8527    3.4341   -4.7807 H   0  0  0  0  0
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    2.8680    1.0994   -8.1604 H   0  0  0  0  0
    3.8202    2.2601   -7.1726 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3646936

>  <PubChem CID>
71244822

>  <Formula>
C34H44N6O

>  <Molecular Weight>
552.767000

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

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C(C)C)N2CCC3=C(C2)C(=NC(=N3)C4=C(C=CC5=NNC(=C54)C)C)N6CCC(C(C6)(C)C)OC

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C(C)C)N2CCC3=C(C2)C(=NC(=N3)C4=C(C=CC5=NNC(=C54)C)C)N6CC[C@@H](C(C6)(C)C)OC

>  <InChI Std. ID>
InChI=1S/C34H44N6O/c1-20(2)24-11-9-21(3)28(17-24)39-15-13-26-25(18-39)33(40-16-14-29(41-8)34(6,7)19-40)36-32(35-26)30-22(4)10-12-27-31(30)23(5)37-38-27/h9-12,17,20,29H,13-16,18-19H2,1-8H3,(H,37,38)/t29-/m0/s1

>  <InChI Key>
AZVDCMWACRSDFZ-LJAQVGFWSA-N

