General Information of the Compound
| Compound ID |
CP0520071
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| Compound Name |
ethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C16H23N3O2S2
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| Molecular Weight |
353.513
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| Canonical SMILES |
CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2CCCc12
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| InChI |
InChI=1S/C16H23N3O2S2/c1-3-21-15(20)13-11-5-4-6-12(11)23-14(13)17-16(22)19-9-7-18(2)8-10-19/h3-10H2,1-2H3,(H,17,22)
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| InChIKey |
RLUFOQDZIYYPIM-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