General Information of the Compound
| Compound ID |
CP0368162
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| Compound Name |
CHEMBL4071736
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| Formula |
C18H21ClFN3O3S2
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| Molecular Weight |
445.969
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| Canonical SMILES |
O[C@]12CCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCC2
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| InChI |
InChI=1S/C18H21ClFN3O3S2/c19-12-9-15(28(25,26)23-16-21-7-8-27-16)13(20)10-14(12)22-11-17-3-1-5-18(17,24)6-2-4-17/h7-10,22,24H,1-6,11H2,(H,21,23)/t17-,18-
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| InChIKey |
KZHFNEOWHYEARP-IYARVYRRSA-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