General Information of the Compound
| Compound ID |
CP0371992
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| Compound Name |
4-[(8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]benzoic Acid
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| Structure |
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| Formula |
C26H26ClNO3
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| Molecular Weight |
435.951
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H26ClNO3/c27-23-5-1-4-21(14-23)25(29)16-28-24-6-2-3-17-9-12-20(13-22(17)15-24)18-7-10-19(11-8-18)26(30)31/h1,4-5,7-14,24-25,28-29H,2-3,6,15-16H2,(H,30,31)/t24-,25-/m0/s1
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| InChIKey |
GAHCDAQSFPIJLO-DQEYMECFSA-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