General Information of the Compound
| Compound ID |
CP0485261
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| Compound Name |
N-[(3R)-6-benzyl-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 |
O=C(N[C@@H]1CCC(Cc2ccccc2)CNC1=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O
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| InChI |
InChI=1S/C25H30N6O3/c32-23-20(9-8-18(16-27-23)15-17-5-2-1-3-6-17)28-24(33)30-13-10-19(11-14-30)31-21-7-4-12-26-22(21)29-25(31)34/h1-7,12,18-20H,8-11,13-16H2,(H,27,32)(H,28,33)(H,26,29,34)/t18?,20-/m1/s1
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| InChIKey |
AKEVIWRLWQZPHU-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