General Information of the Compound
| Compound ID |
CP0853202
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| Compound Name |
(Z)-5-((5-(1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)-3-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C27H23N5O4S2
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| Molecular Weight |
545.646
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| Canonical SMILES |
O=C(CN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O)N1CCN(c2ccccc2)CC1
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| InChI |
InChI=1S/C27H23N5O4S2/c33-23(31-14-12-30(13-15-31)18-6-2-1-3-7-18)17-32-25(34)22(37-27(32)35)16-19-10-11-24(36-19)38-26-28-20-8-4-5-9-21(20)29-26/h1-11,16H,12-15,17H2,(H,28,29)/b22-16-
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| InChIKey |
TUCAURPTHGFOLT-JWGURIENSA-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