
 SCHEMBL3590844

 93 99  0  0  0  0  0  0  0  0999 V2000
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    3.8137   -2.5412    4.5481 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3590844

>  <PubChem CID>
10416497

>  <Formula>
C36H47N7O3

>  <Molecular Weight>
625.818000

>  <IUPAC Name>
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C(=O)N6CCC(CC6)N7CCCCC7)C=NN2

>  <Isomeric SMILES>
CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C(=O)N6CCC(CC6)N7CCCCC7)C=NN2

>  <InChI Std. ID>
InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)

>  <InChI Key>
BIXIUWBEHSVRHZ-UHFFFAOYSA-N

