General Information of the Compound
| Compound ID |
CP0869787
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| Compound Name |
(R)-2-Amino-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)-pyrrolidin-2-yl)methyl)phenyl)-4,5,6,7-tetrahydrobenzo[d]-thiazole-4-carboxamide
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| Structure |
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| Formula |
C26H30N4O2S
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| Molecular Weight |
462.619
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| Canonical SMILES |
Nc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1
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| InChI |
InChI=1S/C26H30N4O2S/c27-26-30-23-20(7-4-8-22(23)33-26)25(32)29-18-11-9-16(10-12-18)15-19-13-14-21(28-19)24(31)17-5-2-1-3-6-17/h1-3,5-6,9-12,19-21,24,28,31H,4,7-8,13-15H2,(H2,27,30)(H,29,32)/t19-,20+,21+,24+/m0/s1
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| InChIKey |
JCWSKAVOGRUMKE-FBHSLPMESA-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