General Information of the Compound
| Compound ID |
CP0089919
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| Compound Name |
N-[(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]aniline
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| Structure |
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| Formula |
C22H19N3O2
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| Molecular Weight |
357.413
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H19N3O2/c1-15-21(19-9-5-6-10-20(19)23-15)22(24-17-7-3-2-4-8-17)16-11-13-18(14-12-16)25(26)27/h2-14,22-24H,1H3
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| InChIKey |
SQOQCTLLQYSMCW-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