General Information of the Compound
| Compound ID |
CP0457125
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| Compound Name |
2-methoxyethyl 5-amino-4-(4-cyanoanilino)-2-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]benzoate
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| Structure |
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| Formula |
C28H26N4O4
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| Molecular Weight |
482.54
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| Canonical SMILES |
COCCOC(=O)c1cc(N)c(Nc2ccc(cc2)C#N)cc1Oc1c(C)cc(\C=C\C#N)cc1C
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| InChI |
InChI=1S/C28H26N4O4/c1-18-13-21(5-4-10-29)14-19(2)27(18)36-26-16-25(32-22-8-6-20(17-30)7-9-22)24(31)15-23(26)28(33)35-12-11-34-3/h4-9,13-16,32H,11-12,31H2,1-3H3/b5-4+
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| InChIKey |
XHRNTQCVULTCLC-SNAWJCMRSA-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