General Information of the Compound
| Compound ID |
CP0543540
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| Compound Name |
2-[4-amino-3-(benzenesulfonyl)-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
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| Structure |
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| Formula |
C19H24ClF3N2O3S
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| Molecular Weight |
452.926
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| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1cc(c(N)c(c1)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C19H23F3N2O3S.ClH/c1-18(2,3)24-15(11-25)12-9-14(19(20,21)22)17(23)16(10-12)28(26,27)13-7-5-4-6-8-13;/h4-10,15,24-25H,11,23H2,1-3H3;1H
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| InChIKey |
FCTSQMYVTWTZEJ-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