General Information of the Compound
| Compound ID |
CP0549723
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| Compound Name |
propyl 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 |
C18H27N3O3S
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| Molecular Weight |
365.499
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| Canonical SMILES |
CCCOC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2CCCCc12
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| InChI |
InChI=1S/C18H27N3O3S/c1-3-12-24-17(22)15-13-6-4-5-7-14(13)25-16(15)19-18(23)21-10-8-20(2)9-11-21/h3-12H2,1-2H3,(H,19,23)
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| InChIKey |
YXCOXEMAOQIONB-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