General Information of the Compound
| Compound ID |
CP0966767
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| Compound Name |
(Z)-1-(3-(5-((5-(1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)propyl)-3-ethylurea
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| Structure |
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| Formula |
C21H21N5O4S2
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| Molecular Weight |
471.564
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| Canonical SMILES |
CCNC(=O)NCCCN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
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| InChI |
InChI=1S/C21H21N5O4S2/c1-2-22-19(28)23-10-5-11-26-18(27)16(31-21(26)29)12-13-8-9-17(30-13)32-20-24-14-6-3-4-7-15(14)25-20/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,24,25)(H2,22,23,28)/b16-12-
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| InChIKey |
OZDLKPFBWPYTBI-VBKFSLOCSA-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