General Information of the Compound
| Compound ID |
CP0541823
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| Compound Name |
CHEMBL4454946
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| Formula |
C22H29FN2O5S
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| Molecular Weight |
452.548
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| Canonical SMILES |
CC(O[C@H]1CC[C@]2(CCCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H29FN2O5S/c1-15(29-18-7-10-22(11-8-18)9-3-4-12-28-22)21-24-20(25-30-21)16-5-6-17(19(23)13-16)14-31(2,26)27/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3/t15?,18-,22+
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| InChIKey |
VYPFESJGFIVLIT-YAHOEMMWSA-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