General Information of the Compound
| Compound ID |
CP0578964
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| Compound Name |
3-[3-(3,5-difluoropyridin-2-yl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-6-(1-methylpyrazol-3-yl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C27H26F2N6O3
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| Molecular Weight |
520.54
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| Canonical SMILES |
CCN(c1ccccc1)c1c(O)c(C(=O)N2CCC(C2)c2ncc(F)cc2F)c(O)nc1-c1ccn(C)n1
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| InChI |
InChI=1S/C27H26F2N6O3/c1-3-35(18-7-5-4-6-8-18)24-23(20-10-11-33(2)32-20)31-26(37)21(25(24)36)27(38)34-12-9-16(15-34)22-19(29)13-17(28)14-30-22/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H2,31,36,37)
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| InChIKey |
RRYVYZHEAMSLAW-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