General Information of the Compound
| Compound ID |
CP0440928
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| Compound Name |
CHEMBL257939
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| Formula |
C20H31N3O3S
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| Molecular Weight |
393.553
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24)/t17-,18-
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| InChIKey |
UKTYHCYZFWBGRW-IYARVYRRSA-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