General Information of the Compound
| Compound ID |
CP0951293
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| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-((1-methyl-1H-indol-2-yl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
Cl.Cn1c(CNC(=O)c2cccc(Oc3cc(CN)ncn3)c2)cc2ccccc21
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| InChI |
InChI=1S/C22H21N5O2.ClH/c1-27-18(9-15-5-2-3-8-20(15)27)13-24-22(28)16-6-4-7-19(10-16)29-21-11-17(12-23)25-14-26-21;/h2-11,14H,12-13,23H2,1H3,(H,24,28);1H
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| InChIKey |
UNGJZJDRKRRSFL-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