General Information of the Compound
| Compound ID |
CP0869757
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| Compound Name |
(R)-2-Ethyl-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)-pyrrolidin-2-yl)methyl)phenyl)-5,6-dihydro-4H-cyclopenta[d]-thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H31N3O2S
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| Molecular Weight |
461.631
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| Canonical SMILES |
CCc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1
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| InChI |
InChI=1S/C27H31N3O2S/c1-2-24-30-25-21(13-15-23(25)33-24)27(32)29-19-10-8-17(9-11-19)16-20-12-14-22(28-20)26(31)18-6-4-3-5-7-18/h3-11,20-22,26,28,31H,2,12-16H2,1H3,(H,29,32)/t20-,21+,22+,26+/m0/s1
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| InChIKey |
MBASDDOGNAPLJY-AVJFOWIRSA-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