General Information of the Compound
| Compound ID |
CP0219592
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| Compound Name |
2-(5-methoxy-1H-indol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
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| Structure |
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| Formula |
C18H19N3O3
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| Molecular Weight |
325.368
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNCc3ccc(cc3)[N+]([O-])=O)c2c1
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| InChI |
InChI=1S/C18H19N3O3/c1-24-16-6-7-18-17(10-16)14(12-20-18)8-9-19-11-13-2-4-15(5-3-13)21(22)23/h2-7,10,12,19-20H,8-9,11H2,1H3
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| InChIKey |
RNBLGGTZIQMPGY-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