General Information of the Compound
| Compound ID |
CP0428375
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| Compound Name |
[2-(7-methyl-1H-indazol-5-yl)-1-(4-pyridin-4-ylpyridin-2-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C34H33N7O3
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| Molecular Weight |
587.684
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| Canonical SMILES |
Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)-c2ccncc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C34H33N7O3/c1-22-16-23(17-27-20-37-39-32(22)27)18-31(30-19-25(8-13-36-30)24-6-11-35-12-7-24)44-34(43)40-14-9-28(10-15-40)41-21-26-4-2-3-5-29(26)38-33(41)42/h2-8,11-13,16-17,19-20,28,31H,9-10,14-15,18,21H2,1H3,(H,37,39)(H,38,42)
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| InChIKey |
CSXMXFZBUVVXPK-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