General Information of the Compound
| Compound ID |
CP0958100
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| Compound Name |
(2R)-2-[[3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothian-4-yl)propanamide
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| Structure |
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| Formula |
C17H21ClN2O4S
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| Molecular Weight |
384.885
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| Canonical SMILES |
C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)NC1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C17H21ClN2O4S/c1-12(17(22)20-15-7-9-25(23,24)10-8-15)19-16(21)6-5-13-3-2-4-14(18)11-13/h2-6,11-12,15H,7-10H2,1H3,(H,19,21)(H,20,22)/b6-5+/t12-/m1/s1
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| InChIKey |
ZKMUUHMVAWYIJL-BTDICHCPSA-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