General Information of the Compound
| Compound ID |
CP0503138
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| Compound Name |
benzimidazole-urea, 22
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| Structure |
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| Formula |
C22H17F2N5O4
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| Molecular Weight |
453.405
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)cc2[nH]1
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| InChI |
InChI=1S/C22H17F2N5O4/c1-32-22(31)29-20-26-17-9-7-15(11-19(17)27-20)33-14-5-3-13(4-6-14)25-21(30)28-18-10-12(23)2-8-16(18)24/h2-11H,1H3,(H2,25,28,30)(H2,26,27,29,31)
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| InChIKey |
KRAIQVKNMMQTGK-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