General Information of the Compound
| Compound ID |
CP0528591
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| Compound Name |
4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-pyridin-3-ylazepan-3-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C23H27N7O3
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| Molecular Weight |
449.515
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| Canonical SMILES |
O=C(N[C@@H]1CCC(CNC1=O)c1cccnc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O
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| InChI |
InChI=1S/C23H27N7O3/c31-21-18(6-5-16(14-26-21)15-3-1-9-24-13-15)27-22(32)29-11-7-17(8-12-29)30-19-4-2-10-25-20(19)28-23(30)33/h1-4,9-10,13,16-18H,5-8,11-12,14H2,(H,26,31)(H,27,32)(H,25,28,33)/t16?,18-/m1/s1
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| InChIKey |
GGUVJLLXBQWSCH-UHUGOGIASA-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