General Information of the Compound
| Compound ID |
CP0970006
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| Compound Name |
(Z)-5-((5-(1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)-3-(3-aminopropyl)thiazolidine-2,4-dione 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C20H17F3N4O5S2
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| Molecular Weight |
514.507
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| Canonical SMILES |
NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H16N4O3S2.C2HF3O2/c19-8-3-9-22-16(23)14(26-18(22)24)10-11-6-7-15(25-11)27-17-20-12-4-1-2-5-13(12)21-17;3-2(4,5)1(6)7/h1-2,4-7,10H,3,8-9,19H2,(H,20,21);(H,6,7)/b14-10-;
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| InChIKey |
YCUNAYIXNWISRQ-DZOOLQPHSA-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