General Information of the Compound
| Compound ID |
CP0428382
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| Compound Name |
N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-phenylpyridin-2-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H35N7O2
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| Molecular Weight |
585.712
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cccc(n2)-c2ccccc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C35H35N7O2/c1-23-18-24(19-27-21-36-40-33(23)27)20-32(31-13-7-12-29(37-31)25-8-3-2-4-9-25)39-34(43)41-16-14-28(15-17-41)42-22-26-10-5-6-11-30(26)38-35(42)44/h2-13,18-19,21,28,32H,14-17,20,22H2,1H3,(H,36,40)(H,38,44)(H,39,43)
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| InChIKey |
QLRQZSMAMXAVSB-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