General Information of the Compound
| Compound ID |
CP0542688
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| Compound Name |
propan-2-yl 2-[(4-fluoronaphthalen-1-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C23H23FN2O2S2
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| Molecular Weight |
442.581
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| Canonical SMILES |
CC(C)OC(=O)c1c(NC(=S)Nc2ccc(F)c3ccccc23)sc2CCCCc12
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| InChI |
InChI=1S/C23H23FN2O2S2/c1-13(2)28-22(27)20-16-9-5-6-10-19(16)30-21(20)26-23(29)25-18-12-11-17(24)14-7-3-4-8-15(14)18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,25,26,29)
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| InChIKey |
XCEZUBHQPIPQJF-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