General Information of the Compound
| Compound ID |
CP0400116
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| Compound Name |
N-[1-(6-bromopyridin-2-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 |
C29H30BrN7O2
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| Molecular Weight |
588.51
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(Br)n2)cc2cn[nH]c12
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| InChI |
InChI=1S/C29H30BrN7O2/c1-18-13-19(14-21-16-31-35-27(18)21)15-25(24-7-4-8-26(30)32-24)34-28(38)36-11-9-22(10-12-36)37-17-20-5-2-3-6-23(20)33-29(37)39/h2-8,13-14,16,22,25H,9-12,15,17H2,1H3,(H,31,35)(H,33,39)(H,34,38)
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| InChIKey |
WMDGAMLPNNVJHK-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