General Information of the Compound
| Compound ID |
CP0970277
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| Compound Name |
(3R,4R)-3-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C17H13ClF2N4O2
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| Molecular Weight |
378.766
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3nc(Cl)ccc3[nH]2)c(F)c1
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| InChI |
InChI=1S/C17H13ClF2N4O2/c1-26-7-4-9(19)13(10(20)5-7)8-6-21-17(25)14(8)16-22-11-2-3-12(18)23-15(11)24-16/h2-5,8,14H,6H2,1H3,(H,21,25)(H,22,23,24)/t8-,14+/m0/s1
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| InChIKey |
ZSFVJSMSDYJBDR-RMLUDKJBSA-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