General Information of the Compound
| Compound ID |
CP0574527
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| Compound Name |
5-chloro-2-fluoro-4-[[(6S)-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methylamino]-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H18ClF3N4O2S2
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| Molecular Weight |
514.982
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| Canonical SMILES |
Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NC[C@H]3NCCC=C3c3ccc(F)cc3)cc2F)s1
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| InChI |
InChI=1S/C21H18ClF3N4O2S2/c22-15-8-19(33(30,31)29-21-28-11-20(25)32-21)16(24)9-17(15)27-10-18-14(2-1-7-26-18)12-3-5-13(23)6-4-12/h2-6,8-9,11,18,26-27H,1,7,10H2,(H,28,29)/t18-/m1/s1
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| InChIKey |
XLJZYUNHARIFIX-GOSISDBHSA-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