General Information of the Compound
| Compound ID |
CP0870007
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| Compound Name |
(4-{[4-(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-ethyl)phenyl]amino}phenoxy)acetic acid hydrochloride
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| Structure |
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| Formula |
C24H26Cl2N2O4
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| Molecular Weight |
477.388
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| Canonical SMILES |
Cl.O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1
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| InChI |
InChI=1S/C24H25ClN2O4.ClH/c25-19-3-1-2-18(14-19)23(28)15-26-13-12-17-4-6-20(7-5-17)27-21-8-10-22(11-9-21)31-16-24(29)30;/h1-11,14,23,26-28H,12-13,15-16H2,(H,29,30);1H/t23-;/m0./s1
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| InChIKey |
XCYBZELKWUXYJX-BQAIUKQQSA-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: PT01493, Beta-3 adrenergic receptor