General Information of the Compound
| Compound ID |
CP0439049
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| Compound Name |
7-(2,4-Dichloro-6-methyl-phenyl)-2-ethyl-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-(2,2,2-trifluoro-ethyl)-amide
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| Structure |
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| Formula |
C21H23Cl2F3N4O
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| Molecular Weight |
475.342
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| Canonical SMILES |
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H23Cl2F3N4O/c1-3-16-18(19(31)28(10-13-4-5-13)11-21(24,25)26)30-7-6-29(20(30)27-16)17-12(2)8-14(22)9-15(17)23/h8-9,13H,3-7,10-11H2,1-2H3
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| InChIKey |
QJCRQWBPHVPRMU-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