General Information of the Compound
| Compound ID |
CP0473365
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| Compound Name |
2-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-(4-(4-(2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)ethyl)phenoxy)butyl)phenol
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| Structure |
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| Formula |
C42H56N2O5
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| Molecular Weight |
668.919
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| Canonical SMILES |
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C
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| InChI |
InChI=1S/C42H56N2O5/c1-30(2)44(31(3)4)24-22-38(34-11-6-5-7-12-34)39-26-33(15-19-41(39)47)10-8-9-25-49-37-17-13-32(14-18-37)21-23-43-28-42(48)35-16-20-40(46)36(27-35)29-45/h5-7,11-20,26-27,30-31,38,42-43,45-48H,8-10,21-25,28-29H2,1-4H3/t38-,42+/m1/s1
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| InChIKey |
BBKNEJRUSCLTOC-GTZDIBSYSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01266, Muscarinic acetylcholine receptor M3