General Information of the Compound
| Compound ID |
CP0869783
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| Compound Name |
(R)-N-(4-(((2S,5R)-5-((R)-Hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-2-methyl-5,6-dihydro-4H-cyclopenta[d]-thiazole-4-carboxamide
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| Structure |
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| Formula |
C26H29N3O2S
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| Molecular Weight |
447.604
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| Canonical SMILES |
Cc1nc2c(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/C26H29N3O2S/c1-16-27-24-21(12-14-23(24)32-16)26(31)29-19-9-7-17(8-10-19)15-20-11-13-22(28-20)25(30)18-5-3-2-4-6-18/h2-10,20-22,25,28,30H,11-15H2,1H3,(H,29,31)/t20-,21+,22+,25+/m0/s1
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| InChIKey |
VMHFOEGLSKKEQT-IYXIZZNPSA-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