General Information of the Compound
| Compound ID |
CP0457572
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| Compound Name |
2-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]furan-3-carboxylic acid
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| Structure |
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| Formula |
C21H21ClN2O4
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| Molecular Weight |
400.862
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| Canonical SMILES |
O[C@@H](CNCCNc1cccc(c1)-c1occc1C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H21ClN2O4/c22-16-5-1-3-14(11-16)19(25)13-23-8-9-24-17-6-2-4-15(12-17)20-18(21(26)27)7-10-28-20/h1-7,10-12,19,23-25H,8-9,13H2,(H,26,27)/t19-/m0/s1
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| InChIKey |
HMWZLYLDLHPPCO-IBGZPJMESA-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
Protein ID: PT01493, Beta-3 adrenergic receptor