General Information of the Compound
| Compound ID |
CP0387891
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| Compound Name |
4-chloro-N-[(2-methoxypyridin-3-yl)-(2-methyl-1H-indol-3-yl)methyl]aniline
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| Structure |
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| Formula |
C22H20ClN3O
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| Molecular Weight |
377.875
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| Canonical SMILES |
COc1ncccc1C(Nc1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H20ClN3O/c1-14-20(17-6-3-4-8-19(17)25-14)21(18-7-5-13-24-22(18)27-2)26-16-11-9-15(23)10-12-16/h3-13,21,25-26H,1-2H3
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| InChIKey |
HMKDBXFQTIAIEW-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