General Information of the Compound
| Compound ID |
CP0550146
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| Compound Name |
CHEMBL4549349
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| Formula |
C21H27FN2O5S
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| Molecular Weight |
438.521
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| Canonical SMILES |
CC(O[C@H]1CC[C@]2(CCCO2)CC1)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C21H27FN2O5S/c1-14(28-17-6-9-21(10-7-17)8-3-11-27-21)20-23-19(24-29-20)15-4-5-16(18(22)12-15)13-30(2,25)26/h4-5,12,14,17H,3,6-11,13H2,1-2H3/t14?,17-,21+
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| InChIKey |
XPGRCKWHAJLFES-BSQKOROFSA-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