General Information of the Compound
| Compound ID |
CP0514251
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| Compound Name |
benzimidazole-urea, 24
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| Structure |
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| Formula |
C23H21N5O4S
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| Molecular Weight |
463.519
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)cc2[nH]1
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| InChI |
InChI=1S/C23H21N5O4S/c1-31-23(30)28-21-26-19-11-10-17(13-20(19)27-21)32-16-8-6-14(7-9-16)24-22(29)25-15-4-3-5-18(12-15)33-2/h3-13H,1-2H3,(H2,24,25,29)(H2,26,27,28,30)
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| InChIKey |
LILVTHVLIRBXAU-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