General Information of the Compound
| Compound ID |
CP0372458
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| Compound Name |
benzimidazole-urea, 38
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| Structure |
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| Formula |
C24H19F4N5O4
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| Molecular Weight |
517.439
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2n1C
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| InChI |
InChI=1S/C24H19F4N5O4/c1-33-20-12-16(8-10-18(20)30-21(33)32-23(35)36-2)37-15-6-4-14(5-7-15)29-22(34)31-19-11-13(24(26,27)28)3-9-17(19)25/h3-12H,1-2H3,(H2,29,31,34)(H,30,32,35)
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| InChIKey |
PXXIFHQHWGNCHG-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