General Information of the Compound
| Compound ID |
CP0869784
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| Compound Name |
(R)-2-Cyclopropyl-N-(4-(((2S,5R)-5-((R)-hydroxy(pyridin-3-yl)-methyl)pyrrolidin-2-yl)methyl)phenyl)-5,6-dihydro-4Hcyclopenta[d]thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H30N4O2S
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| Molecular Weight |
474.63
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| Canonical SMILES |
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(C3CC3)nc21
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| InChI |
InChI=1S/C27H30N4O2S/c32-25(18-2-1-13-28-15-18)22-11-9-20(29-22)14-16-3-7-19(8-4-16)30-26(33)21-10-12-23-24(21)31-27(34-23)17-5-6-17/h1-4,7-8,13,15,17,20-22,25,29,32H,5-6,9-12,14H2,(H,30,33)/t20-,21+,22+,25+/m0/s1
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| InChIKey |
YJURNCATOSDYAI-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