General Information of the Compound
| Compound ID |
CP0576490
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| Compound Name |
US11098029, Example 24
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| Formula |
C21H31FN2O5S
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| Molecular Weight |
442.553
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| Canonical SMILES |
COC(=O)N1[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C21H31FN2O5S/c1-14-11-19(23-30(3,26)27)20(24(14)21(25)28-2)13-29-18-9-7-15(8-10-18)16-5-4-6-17(22)12-16/h4-6,12,14-15,18-20,23H,7-11,13H2,1-3H3/t14-,15-,18+,19+,20+/m1/s1
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| InChIKey |
ACSVNGQNRFCIFV-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