General Information of the Compound
| Compound ID |
CP0443972
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| Compound Name |
2-[(4-chlorobenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C16H14ClN3O2S2
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| Molecular Weight |
379.894
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| Canonical SMILES |
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2CCCc12
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| InChI |
InChI=1S/C16H14ClN3O2S2/c17-9-6-4-8(5-7-9)14(22)19-16(23)20-15-12(13(18)21)10-2-1-3-11(10)24-15/h4-7H,1-3H2,(H2,18,21)(H2,19,20,22,23)
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| InChIKey |
OZBIYLGREOSUQC-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
Protein ID: PT06978, Anoctamin-1
Protein ID: PT06716, Anoctamin-1
Protein ID: PT07751, Anoctamin-2