General Information of the Compound
| Compound ID |
CP0904055
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-benzylbenzamide 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 |
Cl.NCc1cc(OCc2cccc(C(=O)NCc3ccccc3)c2)ncn1
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| InChI |
InChI=1S/C20H20N4O2.ClH/c21-11-18-10-19(24-14-23-18)26-13-16-7-4-8-17(9-16)20(25)22-12-15-5-2-1-3-6-15;/h1-10,14H,11-13,21H2,(H,22,25);1H
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| InChIKey |
WPSXNJTZKHNQJR-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