General Information of the Compound
| Compound ID |
CP0561422
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| Compound Name |
ethyl 2-[(4-ethylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C17H25N3O3S
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| Molecular Weight |
351.472
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)N2CCN(CC)CC2)sc2CCCc12
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| InChI |
InChI=1S/C17H25N3O3S/c1-3-19-8-10-20(11-9-19)17(22)18-15-14(16(21)23-4-2)12-6-5-7-13(12)24-15/h3-11H2,1-2H3,(H,18,22)
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| InChIKey |
IZOMTDMNZSHFDJ-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