General Information of the Compound
| Compound ID |
CP0465720
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| Compound Name |
CHEMBL4080500
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| Formula |
C17H19ClFN3O4S2
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| Molecular Weight |
447.941
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| Canonical SMILES |
C[C@]12OCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCO2
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| InChI |
InChI=1S/C17H19ClFN3O4S2/c1-16-17(2-5-25-16,3-6-26-16)10-21-13-9-12(19)14(8-11(13)18)28(23,24)22-15-20-4-7-27-15/h4,7-9,21H,2-3,5-6,10H2,1H3,(H,20,22)/t16-,17+
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| InChIKey |
SMJNFNISZRZOOL-CALCHBBNSA-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