General Information of the Compound
| Compound ID |
CP0961395
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| Compound Name |
Rac-3-(1-((6-(aminomethyl)pyrimidin-4-yl)oxy)ethyl)-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C20H21ClN4O2
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| Molecular Weight |
384.867
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| Canonical SMILES |
CC(Oc1cc(CN)ncn1)c1cccc(C(=O)Nc2ccccc2)c1.Cl
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| InChI |
InChI=1S/C20H20N4O2.ClH/c1-14(26-19-11-18(12-21)22-13-23-19)15-6-5-7-16(10-15)20(25)24-17-8-3-2-4-9-17;/h2-11,13-14H,12,21H2,1H3,(H,24,25);1H
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| InChIKey |
GUOBSMDRITWYFD-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