General Information of the Compound
| Compound ID |
CP0459298
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| Compound Name |
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H38N8O2
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| Molecular Weight |
602.743
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2CCc2ccccc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H38N8O2/c1-24-19-26(20-28-22-37-40-32(24)28)21-31(33-36-14-18-41(33)15-11-25-7-3-2-4-8-25)39-34(44)42-16-12-29(13-17-42)43-23-27-9-5-6-10-30(27)38-35(43)45/h2-10,14,18-20,22,29,31H,11-13,15-17,21,23H2,1H3,(H,37,40)(H,38,45)(H,39,44)
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| InChIKey |
DYOQSWPYFLNPFD-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