General Information of the Compound
| Compound ID |
CP0299774
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| Compound Name |
(2E)-3-(3-bromo-4,5-dihydroxyphenyl)-N-{3-[(2E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-cyanoprop-2-enamido]propyl}-2-cyanoprop-2-enamide
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| Structure |
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| Formula |
C23H18Br2N4O6
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| Molecular Weight |
606.227
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| Canonical SMILES |
Oc1cc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
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| InChI |
InChI=1S/C23H18Br2N4O6/c24-16-6-12(8-18(30)20(16)32)4-14(10-26)22(34)28-2-1-3-29-23(35)15(11-27)5-13-7-17(25)21(33)19(31)9-13/h4-9,30-33H,1-3H2,(H,28,34)(H,29,35)/b14-4+,15-5+
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| InChIKey |
XYZWEMNNBFBAKA-VHUAAIQRSA-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