General Information of the Compound
| Compound ID |
CP0355631
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| Compound Name |
2-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
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| Formula |
C16H13N3O5S2
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| Molecular Weight |
391.43
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| Canonical SMILES |
CCOC(=O)Cn1c2ccccc2s\c1=N/C(=O)c1ccc(s1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H13N3O5S2/c1-2-24-14(20)9-18-10-5-3-4-6-11(10)26-16(18)17-15(21)12-7-8-13(25-12)19(22)23/h3-8H,2,9H2,1H3/b17-16-
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| InChIKey |
UQWRSLMQKWKVDL-MSUUIHNZSA-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: PT06033, Microphthalmia-associated transcription factor