General Information of the Compound
| Compound ID |
CP0914180
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| Compound Name |
3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}-ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
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| Structure |
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| Formula |
C28H35Cl2N3O4S
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| Molecular Weight |
580.578
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1C1CCCC1.Cl.Cl
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| InChI |
InChI=1S/C28H33N3O4S.2ClH/c1-36(34,35)31-28(33)25-13-12-23(17-26(25)22-5-2-3-6-22)21-10-8-20(9-11-21)14-16-30-19-27(32)24-7-4-15-29-18-24;;/h4,7-13,15,17-18,22,27,30,32H,2-3,5-6,14,16,19H2,1H3,(H,31,33);2*1H/t27-;;/m0../s1
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| InChIKey |
HJUOLAKOVUTXOO-LPCSYZHESA-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