General Information of the Compound
| Compound ID |
CP0459297
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| Compound Name |
[1-(7-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H37N7O3
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| Molecular Weight |
579.705
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| Canonical SMILES |
CCN1CCn2c(C1)cnc2C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C33H37N7O3/c1-3-38-12-13-40-26(20-38)19-34-31(40)29(16-22-14-21(2)30-25(15-22)18-35-37-30)43-33(42)39-10-8-23(9-11-39)27-17-24-6-4-5-7-28(24)36-32(27)41/h4-7,14-15,17-19,23,29H,3,8-13,16,20H2,1-2H3,(H,35,37)(H,36,41)
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| InChIKey |
VEWKJXMBTJTFJT-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