General Information of the Compound
| Compound ID |
CP0968936
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-((1-methyl-1H-indol-2-yl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C23H24ClN5O2
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| Molecular Weight |
437.931
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| Canonical SMILES |
Cl.Cn1c(CNC(=O)c2cccc(COc3cc(CN)ncn3)c2)cc2ccccc21
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| InChI |
InChI=1S/C23H23N5O2.ClH/c1-28-20(10-17-6-2-3-8-21(17)28)13-25-23(29)18-7-4-5-16(9-18)14-30-22-11-19(12-24)26-15-27-22;/h2-11,15H,12-14,24H2,1H3,(H,25,29);1H
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| InChIKey |
GMWFZHUJQFMDSY-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