General Information of the Compound
| Compound ID |
CP0476338
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| Compound Name |
(2S)-1-[2-[8-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]octyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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| Structure |
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| Formula |
C32H52N2O4
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| Molecular Weight |
528.778
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1
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| InChIKey |
UHWBIGHOUUDZJQ-KYJUHHDHSA-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