General Information of the Compound
| Compound ID |
CP0959240
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| Compound Name |
(R)-3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-(2-hydroxy-1-phenylethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C21H23ClN4O3
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| Molecular Weight |
414.893
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)N[C@@H](CO)c3ccccc3)c2)ncn1
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| InChI |
InChI=1S/C21H22N4O3.ClH/c22-11-18-10-20(24-14-23-18)28-13-15-5-4-8-17(9-15)21(27)25-19(12-26)16-6-2-1-3-7-16;/h1-10,14,19,26H,11-13,22H2,(H,25,27);1H/t19-;/m0./s1
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| InChIKey |
WEOLWEUPVSKZBF-FYZYNONXSA-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