General Information of the Compound
| Compound ID |
CP0499764
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| Compound Name |
N-[(2,6-dimethyl-1H-indol-3-yl)-pyridin-3-ylmethyl]-2-methoxypyridin-3-amine
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
COc1ncccc1NC(c1c(C)[nH]c2cc(C)ccc12)c1cccnc1
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| InChI |
InChI=1S/C22H22N4O/c1-14-8-9-17-19(12-14)25-15(2)20(17)21(16-6-4-10-23-13-16)26-18-7-5-11-24-22(18)27-3/h4-13,21,25-26H,1-3H3
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| InChIKey |
MWRFNJNGUSICNX-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