General Information of the Compound
| Compound ID |
CP0341602
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| Compound Name |
2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C24H25Cl2F5N6O4S2
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| Molecular Weight |
691.532
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(n2C)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H25Cl2F5N6O4S2/c1-11(24(29,30)31)35-43(40,41)13-6-5-12(14(25)15(13)26)17-16(20(38)37-9-7-23(27,28)8-10-37)32-19(42-17)18-33-34-21(36(18)4)22(2,3)39/h5-6,11,35,39H,7-10H2,1-4H3/t11-/m0/s1
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| InChIKey |
SXICYQPEXXYOMZ-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