General Information of the Compound
| Compound ID |
CP0476339
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| Compound Name |
(2S)-1-[2-[12-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]dodecyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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| Structure |
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| Formula |
C36H60N2O4
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| Molecular Weight |
584.886
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1
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| InChIKey |
FCTFPNMRTWZMQN-HEVIKAOCSA-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