General Information of the Compound
| Compound ID |
CP0497107
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| Compound Name |
benzimidazole-thiourea, 27
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| Structure |
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| Formula |
C23H18F3N5O3S
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| Molecular Weight |
501.49
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=S)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
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| InChI |
InChI=1S/C23H18F3N5O3S/c1-33-22(32)31-20-29-18-10-9-17(12-19(18)30-20)34-16-7-5-14(6-8-16)27-21(35)28-15-4-2-3-13(11-15)23(24,25)26/h2-12H,1H3,(H2,27,28,35)(H2,29,30,31,32)
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| InChIKey |
UXYOQWHGYMKOQZ-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