General Information of the Compound
| Compound ID |
CP0723189
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| Compound Name |
(E)-2-Cyano-N-[3-(4-{3-[(E)-2-cyano-3-(3,4-dihydroxy-phenyl)-acryloylamino]-propyl}-piperazin-1-yl)-propyl]-3-(3,4-dihydroxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C30H34N6O6
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| Molecular Weight |
574.638
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| Canonical SMILES |
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCN1CCN(CCCNC(=O)/C(C#N)=C/c2ccc(O)c(O)c2)CC1
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| InChI |
InChI=1S/C30H34N6O6/c31-19-23(15-21-3-5-25(37)27(39)17-21)29(41)33-7-1-9-35-11-13-36(14-12-35)10-2-8-34-30(42)24(20-32)16-22-4-6-26(38)28(40)18-22/h3-6,15-18,37-40H,1-2,7-14H2,(H,33,41)(H,34,42)/b23-15+,24-16+
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| InChIKey |
DSMTTZLNZMHMFT-DFEHQXHXSA-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