General Information of the Compound
| Compound ID |
CP0446880
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| Compound Name |
5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-(3-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C23H21Cl2F4N3O4S2
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| Molecular Weight |
614.47
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2-c2cccc(F)c2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C23H21Cl2F4N3O4S2/c1-11(23(27,28)29)32-38(35,36)15-8-7-14(16(24)17(15)25)19-18(12-5-4-6-13(26)9-12)31-21(37-19)20(33)30-10-22(2,3)34/h4-9,11,32,34H,10H2,1-3H3,(H,30,33)/t11-/m0/s1
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| InChIKey |
ZYIFZTLMIXMKBS-NSHDSACASA-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