
 CHEMBL2024601

 72 77  0  0  0  0  0  0  0  0999 V2000
    2.2668    0.7201   -1.8505 C   0  0  0  0  0
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    1.4458   -8.1057   -4.3064 C   0  0  0  0  0
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    7.3742   -0.7932   -2.0607 H   0  0  0  0  0
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    7.8934   -1.7114    2.4482 H   0  0  0  0  0
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    4.2365   -8.2196   -0.7282 H   0  0  0  0  0
    2.3017   -8.6036   -1.9367 H   0  0  0  0  0
    1.4531   -6.2027   -2.3205 H   0  0  0  0  0
    2.2590   -6.5421   -0.8016 H   0  0  0  0  0
    3.5281   -5.1628   -3.2220 H   0  0  0  0  0
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    3.9472   -9.6767   -4.2374 H   0  0  0  0  0
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    0.9088   -8.7594   -8.2449 H   0  0  0  0  0
    0.2832   -8.3700   -5.9175 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2024601

>  <PubChem CID>
11341430

>  <Formula>
C30H33N7O2

>  <Molecular Weight>
523.641000

>  <IUPAC Name>
N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methylpyridin-2-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC(=CC=C1)C(CC2=CC(=C3C(=C2)C=NN3)C)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

>  <Isomeric SMILES>
CC1=NC(=CC=C1)C(CC2=CC(=C3C(=C2)C=NN3)C)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

>  <InChI Std. ID>
InChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)

>  <InChI Key>
AUZLOKAXTQLSIP-UHFFFAOYSA-N

