General Information of the Compound
| Compound ID |
CP0887728
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| Compound Name |
8-hydroxy-5-((R)-1-hydroxy-2-((R)-4-(2-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 |
COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
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| InChI |
InChI=1S/C22H26N2O4.ClH/c1-14(7-8-15-5-3-4-6-20(15)28-2)23-13-19(26)16-9-11-18(25)22-17(16)10-12-21(27)24-22;/h3-6,9-12,14,19,23,25-26H,7-8,13H2,1-2H3,(H,24,27);1H/t14-,19+;/m1./s1
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| InChIKey |
RNSUXBLOIHCQGQ-MQZJHDQISA-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