General Information of the Compound
| Compound ID |
CP0458120
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| Compound Name |
1-[2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-4,6-dihydroxyphenyl]-3-methylbutan-1-one;hydrochloride
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| Structure |
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| Formula |
C18H30ClNO5
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| Molecular Weight |
375.893
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| Canonical SMILES |
Cl.CC(C)CC(=O)c1c(O)cc(O)cc1OC[C@H](O)CNC(C)(C)C
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| InChI |
InChI=1S/C18H29NO5.ClH/c1-11(2)6-14(22)17-15(23)7-12(20)8-16(17)24-10-13(21)9-19-18(3,4)5;/h7-8,11,13,19-21,23H,6,9-10H2,1-5H3;1H/t13-;/m1./s1
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| InChIKey |
MAITWYBHLXVDNP-BTQNPOSSSA-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