General Information of the Compound
| Compound ID |
CP0510484
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| Compound Name |
methyl 2-[4-[(1H-benzimidazol-2-ylamino)methyl]-3-fluorophenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C22H17F2N3O2
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| Molecular Weight |
393.393
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNc2nc3ccccc3[nH]2)c(F)c1
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| InChI |
InChI=1S/C22H17F2N3O2/c1-29-21(28)20-15(5-4-6-16(20)23)13-9-10-14(17(24)11-13)12-25-22-26-18-7-2-3-8-19(18)27-22/h2-11H,12H2,1H3,(H2,25,26,27)
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| InChIKey |
TVKICWXLAKHHIB-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