General Information of the Compound
| Compound ID |
CP0387892
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| Compound Name |
3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-5-(dimethylamino)benzoicAcid
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| Structure |
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| Formula |
C27H29ClN2O4
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| Molecular Weight |
480.992
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| Canonical SMILES |
CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C27H29ClN2O4/c1-30(2)23-12-20(27(32)33)14-25(15-23)34-24-9-7-17-6-8-22(11-19(17)13-24)29-16-26(31)18-4-3-5-21(28)10-18/h3-5,7,9-10,12-15,22,26,29,31H,6,8,11,16H2,1-2H3,(H,32,33)/t22-,26-/m0/s1
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| InChIKey |
KUTUYKMEQJYEPW-NVQXNPDNSA-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