General Information of the Compound
| Compound ID |
CP0942156
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| Compound Name |
(R)-3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-(2-hydroxy-1-phenylethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C20H21ClN4O3
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| Molecular Weight |
400.866
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N[C@@H](CO)c3ccccc3)c2)ncn1
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| InChI |
InChI=1S/C20H20N4O3.ClH/c21-11-16-10-19(23-13-22-16)27-17-8-4-7-15(9-17)20(26)24-18(12-25)14-5-2-1-3-6-14;/h1-10,13,18,25H,11-12,21H2,(H,24,26);1H/t18-;/m0./s1
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| InChIKey |
XTHDJCXWFOCOAS-FERBBOLQSA-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