General Information of the Compound
| Compound ID |
CP0946853
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| Compound Name |
Trans-2,5-Dichloro-N-[4-(3-methyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-cyclohexyl]-benzamide trifluoroacetate
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| Formula |
C24H24Cl2F3N3O4
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| Molecular Weight |
546.373
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| Canonical SMILES |
Cn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc21.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H23Cl2N3O2.C2HF3O2/c1-26-19-4-2-3-5-20(19)27(22(26)29)13-14-6-9-16(10-7-14)25-21(28)17-12-15(23)8-11-18(17)24;3-2(4,5)1(6)7/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,25,28);(H,6,7)/t14-,16-;
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| InChIKey |
NYBKJRIKSTZWAL-SWQINVOKSA-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