General Information of the Compound
| Compound ID |
CP0481949
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| Compound Name |
2-cyanoethyl 5-amino-4-(4-cyanoanilino)-2-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]benzoate
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| Structure |
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| Formula |
C28H23N5O3
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| Molecular Weight |
477.524
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| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)c(N)cc1C(=O)OCCC#N
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| InChI |
InChI=1S/C28H23N5O3/c1-18-13-21(5-3-10-29)14-19(2)27(18)36-26-16-25(33-22-8-6-20(17-31)7-9-22)24(32)15-23(26)28(34)35-12-4-11-30/h3,5-9,13-16,33H,4,12,32H2,1-2H3/b5-3+
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| InChIKey |
CUGXLXTYORXILY-HWKANZROSA-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