General Information of the Compound
| Compound ID |
CP0887724
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| Compound Name |
5-(2-(3-(3,5-difluorophenyl)propylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one hydrochloride
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| Formula |
C20H21ClF2N2O3
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| Molecular Weight |
410.848
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| Canonical SMILES |
Cl.O=c1ccc2c(C(O)CNCCCc3cc(F)cc(F)c3)ccc(O)c2[nH]1
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| InChI |
InChI=1S/C20H20F2N2O3.ClH/c21-13-8-12(9-14(22)10-13)2-1-7-23-11-18(26)15-3-5-17(25)20-16(15)4-6-19(27)24-20;/h3-6,8-10,18,23,25-26H,1-2,7,11H2,(H,24,27);1H
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| InChIKey |
UHNVSOFKPBDKJS-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