General Information of the Compound
| Compound ID |
CP0956188
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| Compound Name |
(+/-)-4-(4-Hydroxymethyl-3-methyl-2,5-dioxo-4-thiophen-3-yl-imidazolidin-1-yl)-2-trifluoromethylbenzonitrile
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| Structure |
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| Formula |
C17H12F3N3O3S
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| Molecular Weight |
395.362
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| Canonical SMILES |
CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1ccsc1
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| InChI |
InChI=1S/C17H12F3N3O3S/c1-22-15(26)23(14(25)16(22,9-24)11-4-5-27-8-11)12-3-2-10(7-21)13(6-12)17(18,19)20/h2-6,8,24H,9H2,1H3
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| InChIKey |
QKVUBFWSERUKJF-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