General Information of the Compound
| Compound ID |
CP0540412
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| Compound Name |
(2S)-1-[2-[10-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]decyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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| Structure |
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| Formula |
C34H56N2O4
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| Molecular Weight |
556.832
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1
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| InChIKey |
VVKYQWBTLQUEAT-ACHIHNKUSA-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