General Information of the Compound
| Compound ID |
CP0381356
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| Compound Name |
3-{[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-5-(propylamino)benzoicAcid
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| Structure |
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| Formula |
C28H31ClN2O4
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| Molecular Weight |
495.019
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| Canonical SMILES |
CCCNc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C28H31ClN2O4/c1-2-10-30-24-13-21(28(33)34)15-26(16-24)35-25-9-7-18-6-8-23(12-20(18)14-25)31-17-27(32)19-4-3-5-22(29)11-19/h3-5,7,9,11,13-16,23,27,30-32H,2,6,8,10,12,17H2,1H3,(H,33,34)/t23-,27-/m0/s1
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| InChIKey |
OVMRHLQXMDOJKN-HOFKKMOUSA-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