General Information of the Compound
| Compound ID |
CP0525099
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| Compound Name |
[2-[7-methyl-3-(piperidin-1-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C35H41N7O3
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| Molecular Weight |
607.759
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(CN3CCCCC3)n[nH]c12
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| InChI |
InChI=1S/C35H41N7O3/c1-24-19-25(20-28-31(38-39-33(24)28)23-40-15-7-2-8-16-40)21-32(30-11-5-6-14-36-30)45-35(44)41-17-12-27(13-18-41)42-22-26-9-3-4-10-29(26)37-34(42)43/h3-6,9-11,14,19-20,27,32H,2,7-8,12-13,15-18,21-23H2,1H3,(H,37,43)(H,38,39)
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| InChIKey |
PFEPJDUULLLNTL-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