General Information of the Compound
| Compound ID |
CP0461717
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| Compound Name |
4-chloro-N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C17H27ClN2O3S
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| Molecular Weight |
374.934
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| Canonical SMILES |
CC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2cc(C)c(Cl)cc2C)C1
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| InChI |
InChI=1S/C17H27ClN2O3S/c1-11-5-14(4)20(9-11)10-15(21)8-19-24(22,23)17-7-12(2)16(18)6-13(17)3/h6-7,11,14-15,19,21H,5,8-10H2,1-4H3/t11?,14?,15-/m0/s1
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| InChIKey |
ACZYRGLADZGESO-KWCHVYNWSA-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