General Information of the Compound
| Compound ID |
CP0946472
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| Compound Name |
3-(3-chlorophenyl)-N-[2-[cyclopropyl-(1,1-dioxothian-4-yl)amino]-2-oxo-ethyl]prop-2-enamide
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| Structure |
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| Formula |
C19H23ClN2O4S
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| Molecular Weight |
410.923
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| Canonical SMILES |
O=C(/C=C/c1cccc(Cl)c1)NCC(=O)N(C1CC1)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C19H23ClN2O4S/c20-15-3-1-2-14(12-15)4-7-18(23)21-13-19(24)22(16-5-6-16)17-8-10-27(25,26)11-9-17/h1-4,7,12,16-17H,5-6,8-11,13H2,(H,21,23)/b7-4+
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| InChIKey |
MBDSHCNPEYTEHT-QPJJXVBHSA-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