General Information of the Compound
| Compound ID |
CP0148468
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| Compound Name |
(2E)-2-cyano-N-{10-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]decyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C30H34N4O6
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| Molecular Weight |
546.624
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| Canonical SMILES |
Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
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| InChI |
InChI=1S/C30H34N4O6/c31-19-23(15-21-9-11-25(35)27(37)17-21)29(39)33-13-7-5-3-1-2-4-6-8-14-34-30(40)24(20-32)16-22-10-12-26(36)28(38)18-22/h9-12,15-18,35-38H,1-8,13-14H2,(H,33,39)(H,34,40)/b23-15+,24-16+
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| InChIKey |
UXBLTQHRJBAYNB-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