General Information of the Compound
| Compound ID |
CP0482493
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| Compound Name |
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)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 |
C33H35N9O2
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| Molecular Weight |
589.704
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| Canonical SMILES |
Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2nccn2Cc2cccnc2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H35N9O2/c1-22-15-24(16-26-19-36-39-30(22)26)17-29(31-35-11-14-41(31)20-23-5-4-10-34-18-23)38-32(43)40-12-8-27(9-13-40)42-21-25-6-2-3-7-28(25)37-33(42)44/h2-7,10-11,14-16,18-19,27,29H,8-9,12-13,17,20-21H2,1H3,(H,36,39)(H,37,44)(H,38,43)
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| InChIKey |
NMJMMGJSYZAVQK-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