General Information of the Compound
| Compound ID |
CP0462568
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| Compound Name |
CHEMBL399833
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| Formula |
C27H34ClF3N2O2S
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| Molecular Weight |
543.095
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| Canonical SMILES |
FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C27H34ClF3N2O2S/c28-24-6-10-26(11-7-24)36(34,35)32-25-8-4-20(5-9-25)12-15-33-16-13-21(14-17-33)18-22-2-1-3-23(19-22)27(29,30)31/h1-3,6-7,10-11,19-21,25,32H,4-5,8-9,12-18H2/t20-,25-
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| InChIKey |
KUPGAPXCPCXKDD-WBANQOEISA-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