General Information of the Compound
| Compound ID |
CP0400338
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| Compound Name |
N-[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H33N7O2
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| Molecular Weight |
559.674
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H33N7O2/c1-21-14-22(15-26-19-35-38-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)37-32(41)39-12-10-27(11-13-39)40-20-25-8-4-5-9-28(25)36-33(40)42/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,38)(H,36,42)(H,37,41)
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| InChIKey |
LPRVGURBXRUWCY-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