General Information of the Compound
| Compound ID |
CP0429336
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| Compound Name |
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C20H19ClN2O3
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| Molecular Weight |
370.836
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| Canonical SMILES |
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H19ClN2O3/c1-2-14-15-10-13(21)4-5-16(15)23-19(14)20(24)22-8-7-12-3-6-17-18(9-12)26-11-25-17/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,22,24)
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| InChIKey |
AFIJCJLHXUFJCZ-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