General Information of the Compound
| Compound ID |
CP0937943
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| Compound Name |
(S)-2-Amino-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 |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
Nc1nc2c(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/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19-,20+,23+/m0/s1
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| InChIKey |
OKIOQHRDFOXEBF-XFGYDDDFSA-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