General Information of the Compound
| Compound ID |
CP0409232
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| Compound Name |
methyl 4-[[4-[[(1-propan-2-ylimidazo[1,5-a]pyridine-3-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)c3nc(C(C)C)c4ccccn34)CC2)CC1
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| InChI |
InChI=1S/C25H37N5O3/c1-18(2)22-21-6-4-5-11-30(21)23(27-22)24(31)26-16-19-7-12-28(13-8-19)17-20-9-14-29(15-10-20)25(32)33-3/h4-6,11,18-20H,7-10,12-17H2,1-3H3,(H,26,31)
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| InChIKey |
AYQTXPXPRLJBIL-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