General Information of the Compound
| Compound ID |
CP0436862
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| Compound Name |
(2S,4S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[6-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H18F5N5O3S
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| Molecular Weight |
527.475
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| Canonical SMILES |
F[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F5N5O3S/c23-14-2-4-17(5-3-14)36(34,35)32-11-15(24)7-19(32)21(33)29-10-16-8-18(31-12-30-16)13-1-6-20(28-9-13)22(25,26)27/h1-6,8-9,12,15,19H,7,10-11H2,(H,29,33)/t15-,19-/m0/s1
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| InChIKey |
KISLLAVVUQSKFA-KXBFYZLASA-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