General Information of the Compound
| Compound ID |
CP0399633
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| Compound Name |
2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(4-methylpiperidin-1-yl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
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| Structure |
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| Formula |
C32H40N6O3
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| Molecular Weight |
556.711
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| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C32H40N6O3/c1-21-7-11-37(12-8-21)31(40)25(16-23-15-22(2)30-26(17-23)19-33-35-30)18-29(39)36-13-9-27(10-14-36)38-20-24-5-3-4-6-28(24)34-32(38)41/h3-6,15,17,19,21,25,27H,7-14,16,18,20H2,1-2H3,(H,33,35)(H,34,41)
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| InChIKey |
LGPJPEYOSHPRNS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound