General Information of the Compound
| Compound ID |
CP0508385
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| Compound Name |
5-chloro-4-[[(6S)-5-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methylamino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H19Cl2FN4O2S2
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| Molecular Weight |
513.447
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| Canonical SMILES |
Fc1cc(NC[C@H]2NCCC=C2c2ccc(Cl)cc2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H19Cl2FN4O2S2/c22-14-5-3-13(4-6-14)15-2-1-7-25-19(15)12-27-18-11-17(24)20(10-16(18)23)32(29,30)28-21-26-8-9-31-21/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1
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| InChIKey |
LRWMXXMFFOKRJM-LJQANCHMSA-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