General Information of the Compound
| Compound ID |
CP0372326
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| Compound Name |
4-{4,4-Dimethyl-5-oxo-3-[3-(1H-tetrazol-5-yl)propyl]-2-thioxoimidazolidin-1-yl}-2-trifluoromethylbenzonitrile
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| Structure |
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| Formula |
C17H16F3N7OS
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| Molecular Weight |
423.424
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| Canonical SMILES |
CC1(C)N(CCCc2nnn[nH]2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H16F3N7OS/c1-16(2)14(28)27(11-6-5-10(9-21)12(8-11)17(18,19)20)15(29)26(16)7-3-4-13-22-24-25-23-13/h5-6,8H,3-4,7H2,1-2H3,(H,22,23,24,25)
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| InChIKey |
LOGXJEFXQHEVPZ-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