General Information of the Compound
| Compound ID |
CP0724003
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| Compound Name |
(E)-3-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-N-{4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-acryloylamino]-butyl}-2-cyano-acrylamide
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| Structure |
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| Formula |
C26H24Br2N4O6
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| Molecular Weight |
648.308
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| Canonical SMILES |
COc1cc(/C=C(\C#N)C(=O)NCCCCNC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O
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| InChI |
InChI=1S/C26H24Br2N4O6/c1-37-21-11-15(9-19(27)23(21)33)7-17(13-29)25(35)31-5-3-4-6-32-26(36)18(14-30)8-16-10-20(28)24(34)22(12-16)38-2/h7-12,33-34H,3-6H2,1-2H3,(H,31,35)(H,32,36)/b17-7+,18-8+
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| InChIKey |
MLVVVAQFZDHHMO-ZEELXFFVSA-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