General Information of the Compound
| Compound ID |
CP0451141
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| Compound Name |
methyl 1-ethylindole-3-carboxylate
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| Structure |
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| Formula |
C12H13NO2
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| Molecular Weight |
203.241
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| Canonical SMILES |
CCn1cc(C(=O)OC)c2ccccc12
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| InChI |
InChI=1S/C12H13NO2/c1-3-13-8-10(12(14)15-2)9-6-4-5-7-11(9)13/h4-8H,3H2,1-2H3
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| InChIKey |
VVKGPGIOVJYAHI-UHFFFAOYSA-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