General Information of the Compound
| Compound ID |
CP0566520
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| Compound Name |
3-chloro-4-[[(6S)-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H20ClFN4O2S2
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| Molecular Weight |
479.002
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| Canonical SMILES |
Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1ccc(cc1Cl)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H20ClFN4O2S2/c22-18-12-16(31(28,29)27-21-25-10-11-30-21)7-8-19(18)26-13-20-17(2-1-9-24-20)14-3-5-15(23)6-4-14/h2-8,10-12,20,24,26H,1,9,13H2,(H,25,27)/t20-/m1/s1
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| InChIKey |
ZRSQFBVQXYEPHN-HXUWFJFHSA-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