General Information of the Compound
| Compound ID |
CP0421880
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| Compound Name |
4-bromo-N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2-ethylbenzenesulfonamide
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| Structure |
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| Formula |
C17H27BrN2O3S
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| Molecular Weight |
419.385
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| Canonical SMILES |
CCc1cc(Br)ccc1S(=O)(=O)NC[C@H](O)CN1CC(C)CC1C
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| InChI |
InChI=1S/C17H27BrN2O3S/c1-4-14-8-15(18)5-6-17(14)24(22,23)19-9-16(21)11-20-10-12(2)7-13(20)3/h5-6,8,12-13,16,19,21H,4,7,9-11H2,1-3H3/t12?,13?,16-/m0/s1
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| InChIKey |
KAXSUUHPVKUEOE-ZUEPYMLJSA-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