General Information of the Compound
| Compound ID |
CP0849244
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| Compound Name |
3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C29H35ClN2O4S
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| Molecular Weight |
543.129
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCC1.Cl
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| InChI |
InChI=1S/C29H34N2O4S.ClH/c1-36(34,35)31-29(33)26-16-15-25(19-27(26)23-7-5-6-8-23)22-13-11-21(12-14-22)17-18-30-20-28(32)24-9-3-2-4-10-24;/h2-4,9-16,19,23,28,30,32H,5-8,17-18,20H2,1H3,(H,31,33);1H/t28-;/m0./s1
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| InChIKey |
CXEJQKAZNHTVAJ-JCOPYZAKSA-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: PT01493, Beta-3 adrenergic receptor