General Information of the Compound
| Compound ID |
CP0389936
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| Compound Name |
(2S)-4-[4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-2-[(7-methyl-1H-indazol-5-yl)methyl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C36H46FN7O3
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| Molecular Weight |
643.808
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| Canonical SMILES |
Cc1cc(C[C@@H](CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)/t27-/m0/s1
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| InChIKey |
JEMFIEOMEUZLBA-MHZLTWQESA-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