General Information of the Compound
| Compound ID |
CP0542254
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| Compound Name |
methyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C15H21N3O3S
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| Molecular Weight |
323.418
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| Canonical SMILES |
COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2CCCc12
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| InChI |
InChI=1S/C15H21N3O3S/c1-17-6-8-18(9-7-17)15(20)16-13-12(14(19)21-2)10-4-3-5-11(10)22-13/h3-9H2,1-2H3,(H,16,20)
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| InChIKey |
UYSBRHRLAYYCDA-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