General Information of the Compound
| Compound ID |
CP0068792
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| Compound Name |
(2E)-2-[(3,4-dihydroxyphenyl)carbonyl]-3-(1H-indol-3-yl)prop-2-enenitrile
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| Structure |
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| Formula |
C18H12N2O3
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| Molecular Weight |
304.305
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)C(=C\c1c[nH]c2ccccc12)\C#N
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| InChI |
InChI=1S/C18H12N2O3/c19-9-12(18(23)11-5-6-16(21)17(22)8-11)7-13-10-20-15-4-2-1-3-14(13)15/h1-8,10,20-22H/b12-7+
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| InChIKey |
TTZDOBVWBQXGDC-KPKJPENVSA-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