General Information of the Compound
| Compound ID |
CP0336309
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| Compound Name |
(2E)-2-({4-[(2E)-2-cyano-2-[(3,4-dihydroxyphenyl)methylidene]acetyl]piperazin-1-yl}carbonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
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| Structure |
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| Formula |
C24H20N4O6
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| Molecular Weight |
460.446
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| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)N2CCN(CC2)C(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
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| InChI |
InChI=1S/C24H20N4O6/c25-13-17(9-15-1-3-19(29)21(31)11-15)23(33)27-5-7-28(8-6-27)24(34)18(14-26)10-16-2-4-20(30)22(32)12-16/h1-4,9-12,29-32H,5-8H2/b17-9+,18-10+
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| InChIKey |
LGNJLNMJHWXSGQ-BEQMOXJMSA-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