General Information of the Compound
| Compound ID |
CP0525415
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| Compound Name |
1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4,6-dimethoxyphenyl]-3-methylbutan-1-one;hydrochloride
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| Structure |
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| Formula |
C20H34ClNO5
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| Molecular Weight |
403.947
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| Canonical SMILES |
Cl.COc1cc(OC)c(C(=O)CC(C)C)c(OC[C@@H](O)CNC(C)(C)C)c1
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| InChI |
InChI=1S/C20H33NO5.ClH/c1-13(2)8-16(23)19-17(25-7)9-15(24-6)10-18(19)26-12-14(22)11-21-20(3,4)5;/h9-10,13-14,21-22H,8,11-12H2,1-7H3;1H/t14-;/m0./s1
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| InChIKey |
CEIAFLJUVRKHMN-UQKRIMTDSA-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