General Information of the Compound
| Compound ID |
CP0374332
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| Compound Name |
3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-5-(dimethylamino)benzoicAcid
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| Structure |
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| Formula |
C26H28ClN3O4
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| Molecular Weight |
481.98
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| Canonical SMILES |
CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C26H28ClN3O4/c1-30(2)21-10-19(26(32)33)12-23(13-21)34-22-7-4-16-3-6-20(9-18(16)11-22)28-15-24(31)17-5-8-25(27)29-14-17/h4-5,7-8,10-14,20,24,28,31H,3,6,9,15H2,1-2H3,(H,32,33)/t20-,24-/m0/s1
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| InChIKey |
OJTZAWYDEHUNFU-RDPSFJRHSA-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