General Information of the Compound
| Compound ID |
CP0414536
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| Compound Name |
2-N-(2,6-dimethylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H31F3N4O2
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| Molecular Weight |
464.532
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCN(CCC)c1cccc2nc(Nc3c(C)cccc3C)n(C)c12
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| InChI |
InChI=1S/C22H30N4.C2HF3O2/c1-6-14-26(15-7-2)19-13-9-12-18-21(19)25(5)22(23-18)24-20-16(3)10-8-11-17(20)4;3-2(4,5)1(6)7/h8-13H,6-7,14-15H2,1-5H3,(H,23,24);(H,6,7)
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| InChIKey |
FLIAAHRIIRMWGS-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