General Information of the Compound
| Compound ID |
CP0942477
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| Compound Name |
SID144188742
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| Structure |
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| Formula |
C21H23FN2O4S
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| Molecular Weight |
418.49
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| Canonical SMILES |
CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1
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| InChI |
InChI=1S/C21H23FN2O4S/c1-2-29(27,28)23-11-18-21(19(13-25)24(18)20(26)12-23)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-19,21,25H,2,11-13H2,1H3/t18-,19-,21+/m1/s1
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| InChIKey |
IEUUIUSQBCOUDA-SBHAEUEKSA-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