General Information of the Compound
| Compound ID |
CP0050930
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| Compound Name |
(2E)-2-cyano-N-{4-[(2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamido]butyl}-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
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| Structure |
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| Formula |
C26H24N6O10
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| Molecular Weight |
580.51
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2cc(OC)c(O)c(c2)[N+]([O-])=O)\C#N)cc(c1O)[N+]([O-])=O
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| InChI |
InChI=1S/C26H24N6O10/c1-41-21-11-15(9-19(23(21)33)31(37)38)7-17(13-27)25(35)29-5-3-4-6-30-26(36)18(14-28)8-16-10-20(32(39)40)24(34)22(12-16)42-2/h7-12,33-34H,3-6H2,1-2H3,(H,29,35)(H,30,36)/b17-7+,18-8+
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| InChIKey |
KELGROZXKWYKRA-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