General Information of the Compound
| Compound ID |
CP0711588
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| Compound Name |
(+/-)-4-[4-(1H-Indol-5-yl)-3,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-trifluoromethyl-benzonitrile
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| Structure |
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| Formula |
C21H15F3N4O2
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| Molecular Weight |
412.371
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| Canonical SMILES |
CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C21H15F3N4O2/c1-20(14-4-6-17-12(9-14)7-8-26-17)18(29)28(19(30)27(20)2)15-5-3-13(11-25)16(10-15)21(22,23)24/h3-10,26H,1-2H3
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| InChIKey |
FCIKVNFKDPDRCN-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