
 CHEMBL92274

 81 84  0  0  0  0  0  0  0  0999 V2000
    8.3154    3.0219    0.9654 C   0  0  0  0  0
    7.3856    2.4029   -0.0825 C   0  0  0  0  0
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    2.0256    5.0344   -1.5216 H   0  0  0  0  0
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    4.4751    2.3674   -3.8479 H   0  0  0  0  0
    4.0734    0.5317   -2.2346 H   0  0  0  0  0
    4.8200   -2.9034    2.6648 H   0  0  0  0  0
    3.5147   -5.2610    1.4522 H   0  0  0  0  0
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    5.3343   -6.5480    2.4716 H   0  0  0  0  0
    2.8927   -6.2650    3.5951 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL92274

>  <PubChem CID>
44322460

>  <Formula>
C31H42N4O4

>  <Molecular Weight>
534.701000

>  <IUPAC Name>
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methylpropanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NC4COC(OC4)(C)C

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NC4COC(OC4)(C)C

>  <InChI Std. ID>
InChI=1S/C31H42N4O4/c1-19(2)23-12-10-13-24(20(3)4)27(23)34-29(37)35-31(7,15-21-16-32-26-14-9-8-11-25(21)26)28(36)33-22-17-38-30(5,6)39-18-22/h8-14,16,19-20,22,32H,15,17-18H2,1-7H3,(H,33,36)(H2,34,35,37)

>  <InChI Key>
COZVPGGEDBOYRG-UHFFFAOYSA-N

