General Information of the Compound
| Compound ID |
CP0008188
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| Compound Name |
methyl 2-[(4-methylpiperazine-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C16H23N3O3S
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| Molecular Weight |
337.445
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| Canonical SMILES |
COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2CCCCc12
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| InChI |
InChI=1S/C16H23N3O3S/c1-18-7-9-19(10-8-18)16(21)17-14-13(15(20)22-2)11-5-3-4-6-12(11)23-14/h3-10H2,1-2H3,(H,17,21)
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| InChIKey |
FGSGNCNSQLKFBF-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