General Information of the Compound
| Compound ID |
CP0943065
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(4-(3-hydroxyphenyl)butan-2-ylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C21H25ClN2O4
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| Molecular Weight |
404.894
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| Canonical SMILES |
CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
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| InChI |
InChI=1S/C21H24N2O4.ClH/c1-13(5-6-14-3-2-4-15(24)11-14)22-12-19(26)16-7-9-18(25)21-17(16)8-10-20(27)23-21;/h2-4,7-11,13,19,22,24-26H,5-6,12H2,1H3,(H,23,27);1H
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| InChIKey |
JKCCZJRQKBGOFV-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