General Information of the Compound
| Compound ID |
CP0572622
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]-4-methoxyphenyl]-3-methylbutan-1-one;hydrochloride
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| Structure |
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| Formula |
C18H30ClNO4
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| Molecular Weight |
359.894
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| Canonical SMILES |
Cl.COc1ccc(C(=O)CC(C)C)c(OC[C@H](O)CNC(C)C)c1
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| InChI |
InChI=1S/C18H29NO4.ClH/c1-12(2)8-17(21)16-7-6-15(22-5)9-18(16)23-11-14(20)10-19-13(3)4;/h6-7,9,12-14,19-20H,8,10-11H2,1-5H3;1H/t14-;/m1./s1
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| InChIKey |
ATFMDVYPKZACHW-PFEQFJNWSA-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