General Information of the Compound
| Compound ID |
CP0908527
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| Compound Name |
(R)-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 |
C25H27N3O2S
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| Molecular Weight |
433.577
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| Canonical SMILES |
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2scnc21
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| InChI |
InChI=1S/C25H27N3O2S/c29-24(17-4-2-1-3-5-17)21-12-10-19(27-21)14-16-6-8-18(9-7-16)28-25(30)20-11-13-22-23(20)26-15-31-22/h1-9,15,19-21,24,27,29H,10-14H2,(H,28,30)/t19-,20+,21+,24+/m0/s1
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| InChIKey |
XBXOMFZIVJWVNU-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