General Information of the Compound
| Compound ID |
CP0236848
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| Compound Name |
2-(4-fluorophenyl)-5-[[4-[[(2R)-4-[methyl(prop-2-ynyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]benzenesulfonyl fluoride
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| Structure |
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| Formula |
C34H30F5N3O7S4
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| Molecular Weight |
815.886
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| Canonical SMILES |
CN(CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O)CC#C
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| InChI |
InChI=1S/C34H30F5N3O7S4/c1-3-18-42(2)19-17-26(22-50-27-7-5-4-6-8-27)40-30-16-14-28(21-32(30)51(44,45)34(36,37)38)53(48,49)41-33(43)24-11-15-29(31(20-24)52(39,46)47)23-9-12-25(35)13-10-23/h1,4-16,20-21,26,40H,17-19,22H2,2H3,(H,41,43)/t26-/m1/s1
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| InChIKey |
QJNDOGVVRBJVRJ-AREMUKBSSA-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