General Information of the Compound
| Compound ID |
CP0893925
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| Compound Name |
(R)-2-(4-Fluorophenyl)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)-methyl)pyrrolidin-2-yl)methyl)phenyl)-5,6-dihydro-4Hcyclopenta[d]thiazole-4-carboxamide
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| Structure |
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| Formula |
C31H30FN3O2S
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| Molecular Weight |
527.665
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| Canonical SMILES |
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21
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| InChI |
InChI=1S/C31H30FN3O2S/c32-22-10-8-21(9-11-22)31-35-28-25(15-17-27(28)38-31)30(37)34-23-12-6-19(7-13-23)18-24-14-16-26(33-24)29(36)20-4-2-1-3-5-20/h1-13,24-26,29,33,36H,14-18H2,(H,34,37)/t24-,25+,26+,29+/m0/s1
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| InChIKey |
HHXPKPNUSUKOKK-YIPGRGJBSA-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