General Information of the Compound
| Compound ID |
CP0943066
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(4-(3,4,5-trimethoxyphenyl)butan-2-ylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C24H31ClN2O6
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| Molecular Weight |
478.973
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| Canonical SMILES |
COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC.Cl
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| InChI |
InChI=1S/C24H30N2O6.ClH/c1-14(5-6-15-11-20(30-2)24(32-4)21(12-15)31-3)25-13-19(28)16-7-9-18(27)23-17(16)8-10-22(29)26-23;/h7-12,14,19,25,27-28H,5-6,13H2,1-4H3,(H,26,29);1H
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| InChIKey |
NCQMDRJMSUREPT-UHFFFAOYSA-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor