General Information of the Compound
| Compound ID |
CP0505604
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| Compound Name |
N-[(3R)-6-(4-methylphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H30N6O3
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| Molecular Weight |
462.554
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| Canonical SMILES |
Cc1ccc(cc1)C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1
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| InChI |
InChI=1S/C25H30N6O3/c1-16-4-6-17(7-5-16)18-8-9-20(23(32)27-15-18)28-24(33)30-13-10-19(11-14-30)31-21-3-2-12-26-22(21)29-25(31)34/h2-7,12,18-20H,8-11,13-15H2,1H3,(H,27,32)(H,28,33)(H,26,29,34)/t18?,20-/m1/s1
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| InChIKey |
PIQUKGNTPLBCHF-ROPPNANJSA-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