General Information of the Compound
| Compound ID |
CP0199692
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| Compound Name |
N-benzyl-N-(2-cyanoethyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C19H17N3O
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| Molecular Weight |
303.365
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| Canonical SMILES |
O=C(N(CCC#N)Cc1ccccc1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C19H17N3O/c20-11-6-12-22(14-15-7-2-1-3-8-15)19(23)18-13-16-9-4-5-10-17(16)21-18/h1-5,7-10,13,21H,6,12,14H2
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| InChIKey |
HZEQDLVVOBQKQR-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