General Information of the Compound
| Compound ID |
CP0555909
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| Compound Name |
CHEMBL4740509
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| Formula |
C21H31F2N3O5S
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| Molecular Weight |
475.558
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| Canonical SMILES |
COC(=O)N1[C@H](C)C[C@H](NS(=O)(=O)NCF)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C21H31F2N3O5S/c1-14-10-19(25-32(28,29)24-13-22)20(26(14)21(27)30-2)12-31-18-8-6-15(7-9-18)16-4-3-5-17(23)11-16/h3-5,11,14-15,18-20,24-25H,6-10,12-13H2,1-2H3/t14-,15-,18+,19+,20+/m1/s1
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| InChIKey |
SIHRJIMCGSWJED-XEGUMIITSA-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