General Information of the Compound
| Compound ID |
CP0779679
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| Compound Name |
(E)-2-Cyano-N-{3-[(E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-acryloylamino]-propyl}-3-(3,4-dihydroxy-5-nitro-phenyl)-acrylamide
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| Structure |
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| Formula |
C23H18N6O10
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| Molecular Weight |
538.429
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| Canonical SMILES |
N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C23H18N6O10/c24-10-14(4-12-6-16(28(36)37)20(32)18(30)8-12)22(34)26-2-1-3-27-23(35)15(11-25)5-13-7-17(29(38)39)21(33)19(31)9-13/h4-9,30-33H,1-3H2,(H,26,34)(H,27,35)/b14-4+,15-5+
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| InChIKey |
ACNOKHXCQQGNOV-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