General Information of the Compound
| Compound ID |
CP0548280
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| Compound Name |
[2-(7-methyl-3-phenyl-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 |
C35H34N6O3
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| Molecular Weight |
586.696
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2ccccn2)cc2c(n[nH]c12)-c1ccccc1
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| InChI |
InChI=1S/C35H34N6O3/c1-23-19-24(20-28-32(23)38-39-33(28)25-9-3-2-4-10-25)21-31(30-13-7-8-16-36-30)44-35(43)40-17-14-27(15-18-40)41-22-26-11-5-6-12-29(26)37-34(41)42/h2-13,16,19-20,27,31H,14-15,17-18,21-22H2,1H3,(H,37,42)(H,38,39)
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| InChIKey |
PBJHHZOVIVOICW-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