General Information of the Compound
| Compound ID |
CP0341601
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| Compound Name |
2,3-dichloro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H27Cl2F4N5O5S2
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| Molecular Weight |
688.553
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| Canonical SMILES |
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(CC(C)(C)O)o2)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C25H27Cl2F4N5O5S2/c1-4-15(25(29,30)31)35-43(39,40)14-6-5-13(17(26)18(14)27)20-19(23(37)36-9-7-12(28)8-10-36)32-22(42-20)21-34-33-16(41-21)11-24(2,3)38/h5-6,12,15,35,38H,4,7-11H2,1-3H3/t15-/m0/s1
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| InChIKey |
VWOLTHFSWIIFKC-HNNXBMFYSA-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