General Information of the Compound
| Compound ID |
CP0903641
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| Compound Name |
(R)-2-Amino-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)-pyrrolidin-2-yl)methyl)phenyl)-5,6,7,8-tetrahydro-4Hcyclohepta[d]thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H32N4O2S
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| Molecular Weight |
476.646
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| Canonical SMILES |
Nc1nc2c(s1)CCCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1
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| InChI |
InChI=1S/C27H32N4O2S/c28-27-31-24-21(8-4-5-9-23(24)34-27)26(33)30-19-12-10-17(11-13-19)16-20-14-15-22(29-20)25(32)18-6-2-1-3-7-18/h1-3,6-7,10-13,20-22,25,29,32H,4-5,8-9,14-16H2,(H2,28,31)(H,30,33)/t20-,21+,22+,25+/m0/s1
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| InChIKey |
IUFKANFNYRZBLU-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