General Information of the Compound
| Compound ID |
CP0220368
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| Compound Name |
2-[[(5Z)-4-keto-5-p-anisylidene-2-thiazolin-2-yl]thio]acetic acid ethyl ester
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| Structure |
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| Formula |
C15H15NO4S2
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| Molecular Weight |
337.422
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| Canonical SMILES |
CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1
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| InChI |
InChI=1S/C15H15NO4S2/c1-3-20-13(17)9-21-15-16-14(18)12(22-15)8-10-4-6-11(19-2)7-5-10/h4-8H,3,9H2,1-2H3/b12-8-
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| InChIKey |
ZRQNZGVUNYGXLE-WQLSENKSSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor