General Information of the Compound
| Compound ID |
CP0441823
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| Compound Name |
2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C23H24ClN3O3
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| Molecular Weight |
425.916
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| Canonical SMILES |
C[C@H](CNc1cccc(c1)-c1ncccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H24ClN3O3/c1-15(26-14-21(28)16-5-2-7-18(24)11-16)13-27-19-8-3-6-17(12-19)22-20(23(29)30)9-4-10-25-22/h2-12,15,21,26-28H,13-14H2,1H3,(H,29,30)/t15-,21+/m1/s1
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| InChIKey |
DKQAXJMPOURSQQ-VFNWGFHPSA-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