General Information of the Compound
| Compound ID |
CP0957748
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| Compound Name |
(Z)-N-(2-((5-((3-isopropyl-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)thio)-1H-benzo[d]imidazol-6-yl)benzamide
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| Structure |
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| Formula |
C25H20N4O4S2
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| Molecular Weight |
504.593
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| Canonical SMILES |
CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)o2)C1=O
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| InChI |
InChI=1S/C25H20N4O4S2/c1-14(2)29-23(31)20(34-25(29)32)13-17-9-11-21(33-17)35-24-27-18-10-8-16(12-19(18)28-24)26-22(30)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,26,30)(H,27,28)/b20-13-
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| InChIKey |
JSFLTEPNNAIZQO-MOSHPQCFSA-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