General Information of the Compound
| Compound ID |
CP0448280
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| Compound Name |
(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
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| Structure |
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| Formula |
C17H21ClN2O
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| Molecular Weight |
304.821
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| Canonical SMILES |
C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
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| InChIKey |
IUDHYTDAODRVLB-DYVFJYSZSA-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