General Information of the Compound
| Compound ID |
CP0969745
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| Compound Name |
2-(4-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-1H-indol-1-yl)-N-methyl-N-phenylacetamide
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| Structure |
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
CN(C(=O)Cn1ccc2c(Oc3cc(CN)ncn3)cccc21)c1ccccc1
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| InChI |
InChI=1S/C22H21N5O2/c1-26(17-6-3-2-4-7-17)22(28)14-27-11-10-18-19(27)8-5-9-20(18)29-21-12-16(13-23)24-15-25-21/h2-12,15H,13-14,23H2,1H3
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| InChIKey |
BBSKGHSMXQMELI-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