General Information of the Compound
| Compound ID |
CP0187304
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| Compound Name |
(2E)-2-cyano-N-(2-{4-[(2E)-2-cyano-2-[(3,4-dihydroxyphenyl)methylidene]acetyl]piperazin-1-yl}ethyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C26H25N5O6
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| Molecular Weight |
503.515
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| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCCN2CCN(CC2)C(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
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| InChI |
InChI=1S/C26H25N5O6/c27-15-19(11-17-1-3-21(32)23(34)13-17)25(36)29-5-6-30-7-9-31(10-8-30)26(37)20(16-28)12-18-2-4-22(33)24(35)14-18/h1-4,11-14,32-35H,5-10H2,(H,29,36)/b19-11+,20-12+
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| InChIKey |
VUEAWOKXEQLRJW-AYKLPDECSA-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