General Information of the Compound
| Compound ID |
CP0965873
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| Compound Name |
8-hydroxy-5-(1-hydroxy-2-(4-(4-methoxyphenyl)butan-2-ylamino)ethyl)quinolin-2(1H)-one hydrochloride
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| Formula |
C22H27ClN2O4
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| Molecular Weight |
418.921
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| Canonical SMILES |
COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl
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| InChI |
InChI=1S/C22H26N2O4.ClH/c1-14(3-4-15-5-7-16(28-2)8-6-15)23-13-20(26)17-9-11-19(25)22-18(17)10-12-21(27)24-22;/h5-12,14,20,23,25-26H,3-4,13H2,1-2H3,(H,24,27);1H
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| InChIKey |
FPSBFLHMTYZRIP-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