General Information of the Compound
| Compound ID |
CP0384654
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| Compound Name |
CHEMBL4458134
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| Formula |
C24H33FN2O5S
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| Molecular Weight |
480.602
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| Canonical SMILES |
CC(O[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2)c1nc(no1)-c1ccc(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H33FN2O5S/c1-16(31-19-7-9-24(10-8-19)12-11-23(2,3)15-30-24)22-26-21(27-32-22)17-5-6-18(20(25)13-17)14-33(4,28)29/h5-6,13,16,19H,7-12,14-15H2,1-4H3/t16?,19-,24+
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| InChIKey |
RGAVJLDYZJFJIC-TWQFJDDPSA-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