General Information of the Compound
| Compound ID |
CP0462167
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| Compound Name |
methyl 4-[[4-[[(2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H37N5O3
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| Molecular Weight |
455.603
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| Canonical SMILES |
COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccn4cc(nc34)C(C)C)CC2)CC1
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| InChI |
InChI=1S/C25H37N5O3/c1-18(2)22-17-30-10-4-5-21(23(30)27-22)24(31)26-15-19-6-11-28(12-7-19)16-20-8-13-29(14-9-20)25(32)33-3/h4-5,10,17-20H,6-9,11-16H2,1-3H3,(H,26,31)
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| InChIKey |
XYKRCTZIRYSQOK-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