General Information of the Compound
| Compound ID |
CP0218448
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| Compound Name |
5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C22H28Cl2F3N3O5S2
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| Molecular Weight |
606.516
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2COC(C)(C)C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H28Cl2F3N3O5S2/c1-11(22(25,26)27)30-37(33,34)14-8-7-12(15(23)16(14)24)17-13(9-35-20(2,3)4)29-19(36-17)18(31)28-10-21(5,6)32/h7-8,11,30,32H,9-10H2,1-6H3,(H,28,31)/t11-/m0/s1
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| InChIKey |
NFMAKXUHBVYABN-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