General Information of the Compound
| Compound ID |
CP0382139
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| Compound Name |
N-[(2R)-3-(2-cyclohexylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C23H32N2O3S
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| Molecular Weight |
416.587
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| Canonical SMILES |
O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1CCCC1C1CCCCC1
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| InChI |
InChI=1S/C23H32N2O3S/c26-20(17-25-15-7-13-22(25)19-9-2-1-3-10-19)16-24-29(27,28)23-14-6-11-18-8-4-5-12-21(18)23/h4-6,8,11-12,14,19-20,22,24,26H,1-3,7,9-10,13,15-17H2/t20-,22?/m0/s1
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| InChIKey |
ROFWNJGKUBGGMG-AIBWNMTMSA-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