General Information of the Compound
| Compound ID |
CP0353634
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| Compound Name |
4,4,4-trifluorobutyl N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C23H26F3N3O4S2
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| Molecular Weight |
529.606
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| Canonical SMILES |
CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OCCCC(F)(F)F)-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C23H26F3N3O4S2/c1-16(2)11-19-13-20(18-6-3-5-17(12-18)14-29-9-8-27-15-29)21(34-19)35(31,32)28-22(30)33-10-4-7-23(24,25)26/h3,5-6,8-9,12-13,15-16H,4,7,10-11,14H2,1-2H3,(H,28,30)
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| InChIKey |
FAPXBBUYLKCBNN-UHFFFAOYSA-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