General Information of the Compound
| Compound ID |
CP0553075
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| Compound Name |
N-[(2R)-3-(5-ethyl-2-methylpiperidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C21H30N2O3S
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| Molecular Weight |
390.549
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| Canonical SMILES |
CCC1CCC(C)N(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1
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| InChI |
InChI=1S/C21H30N2O3S/c1-3-17-12-11-16(2)23(14-17)15-19(24)13-22-27(25,26)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,16-17,19,22,24H,3,11-15H2,1-2H3/t16?,17?,19-/m0/s1
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| InChIKey |
HFCVJZGCTXOFHH-TVPLGVNVSA-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