General Information of the Compound
| Compound ID |
CP0869758
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| Compound Name |
(R)-2-(2-Aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydroxy-(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)pentanamide
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
CCC[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1
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| InChI |
InChI=1S/C26H32N4O2S/c1-2-6-21(23-16-33-26(27)30-23)25(32)29-19-11-9-17(10-12-19)15-20-13-14-22(28-20)24(31)18-7-4-3-5-8-18/h3-5,7-12,16,20-22,24,28,31H,2,6,13-15H2,1H3,(H2,27,30)(H,29,32)/t20-,21+,22+,24+/m0/s1
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| InChIKey |
XLDDFJXVCJYSBN-JVNMPXIPSA-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