General Information of the Compound
| Compound ID |
CP0281900
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| Compound Name |
2,5-dichloro-N-(2-methylpropyl)-N-[4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-yn-2-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H22Cl2F3NO3S
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| Molecular Weight |
556.433
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccccc1)C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C26H22Cl2F3NO3S/c1-18(2)17-32(36(34,35)24-16-21(27)10-13-23(24)28)22-11-8-20(9-12-22)25(33,26(29,30)31)15-14-19-6-4-3-5-7-19/h3-13,16,18,33H,17H2,1-2H3
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| InChIKey |
OPWASPRJSUBIAP-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