General Information of the Compound
| Compound ID |
CP0969742
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C19H19ClN4O2
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| Molecular Weight |
370.84
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)Nc3ccccc3)c2)ncn1
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| InChI |
InChI=1S/C19H18N4O2.ClH/c20-11-17-10-18(22-13-21-17)25-12-14-5-4-6-15(9-14)19(24)23-16-7-2-1-3-8-16;/h1-10,13H,11-12,20H2,(H,23,24);1H
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| InChIKey |
ZSWCFDOCPDYWRY-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