General Information of the Compound
| Compound ID |
CP0459299
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| Compound Name |
N-[1-(1-methylimidazol-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 |
C28H32N8O2
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| Molecular Weight |
512.618
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2C)cc2cn[nH]c12
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| InChI |
InChI=1S/C28H32N8O2/c1-18-13-19(14-21-16-30-33-25(18)21)15-24(26-29-9-12-34(26)2)32-27(37)35-10-7-22(8-11-35)36-17-20-5-3-4-6-23(20)31-28(36)38/h3-6,9,12-14,16,22,24H,7-8,10-11,15,17H2,1-2H3,(H,30,33)(H,31,38)(H,32,37)
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| InChIKey |
LYJXDYRXGMCWMF-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