General Information of the Compound
| Compound ID |
CP0577746
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| Compound Name |
propan-2-yl 2-[(4-bromonaphthalen-1-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C22H21BrN2O2S2
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| Molecular Weight |
489.46
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| Canonical SMILES |
CC(C)OC(=O)c1c(NC(=S)Nc2ccc(Br)c3ccccc23)sc2CCCc12
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| InChI |
InChI=1S/C22H21BrN2O2S2/c1-12(2)27-21(26)19-15-8-5-9-18(15)29-20(19)25-22(28)24-17-11-10-16(23)13-6-3-4-7-14(13)17/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H2,24,25,28)
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| InChIKey |
AORXACKADUWCAZ-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