General Information of the Compound
| Compound ID |
CP0467386
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| Compound Name |
N-[1-(5-bromo-1H-imidazol-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 |
C27H29BrN8O2
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| Molecular Weight |
577.487
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ncc(Br)[nH]2)cc2cn[nH]c12
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| InChI |
InChI=1S/C27H29BrN8O2/c1-16-10-17(11-19-13-30-34-24(16)19)12-22(25-29-14-23(28)33-25)32-26(37)35-8-6-20(7-9-35)36-15-18-4-2-3-5-21(18)31-27(36)38/h2-5,10-11,13-14,20,22H,6-9,12,15H2,1H3,(H,29,33)(H,30,34)(H,31,38)(H,32,37)
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| InChIKey |
HILFOKSSVAIZEL-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