General Information of the Compound
| Compound ID |
CP0464008
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| Compound Name |
methyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate
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| Structure |
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| Formula |
C14H11Cl2N3O2
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| Molecular Weight |
324.167
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| Canonical SMILES |
COC(=O)c1c(\C(=C/N)C#N)c2ccc(Cl)c(Cl)c2n1C
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| InChI |
InChI=1S/C14H11Cl2N3O2/c1-19-12-8(3-4-9(15)11(12)16)10(7(5-17)6-18)13(19)14(20)21-2/h3-5H,17H2,1-2H3/b7-5-
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| InChIKey |
RDIHPXYAMGYXKA-ALCCZGGFSA-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