General Information of the Compound
| Compound ID |
CP0496099
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| Compound Name |
N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]thiomorpholine-4-carboxamide
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| Structure |
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| Formula |
C15H19F3N2OS2
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| Molecular Weight |
364.458
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| Canonical SMILES |
FC(F)(F)c1cccc(CSCCNC(=O)N2CCSCC2)c1
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| InChI |
InChI=1S/C15H19F3N2OS2/c16-15(17,18)13-3-1-2-12(10-13)11-23-7-4-19-14(21)20-5-8-22-9-6-20/h1-3,10H,4-9,11H2,(H,19,21)
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| InChIKey |
ABAOKWPANHWKPD-UHFFFAOYSA-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