General Information of the Compound
| Compound ID |
CP0756489
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| Compound Name |
(E)-2-Cyano-N-{4-[(E)-2-cyano-3-(3,4-dihydroxy-phenyl)-acryloyl]-piperazin-1-ylmethyl}-3-(3,4-dihydroxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C25H23N5O6
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| Molecular Weight |
489.488
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| Canonical SMILES |
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCN1CCN(C(=O)/C(C#N)=C/c2ccc(O)c(O)c2)CC1
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| InChI |
InChI=1S/C25H23N5O6/c26-13-18(9-16-1-3-20(31)22(33)11-16)24(35)28-15-29-5-7-30(8-6-29)25(36)19(14-27)10-17-2-4-21(32)23(34)12-17/h1-4,9-12,31-34H,5-8,15H2,(H,28,35)/b18-9+,19-10+
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| InChIKey |
MWAPBQYCPZKRIB-VNIJRHKQSA-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