General Information of the Compound
| Compound ID |
CP0877319
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| Compound Name |
4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethyl]amino}ethyl)-3-(cyclohexyloxy)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
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| Structure |
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| Formula |
C29H38Cl2N4O5S
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| Molecular Weight |
625.619
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1.Cl.Cl
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| InChI |
InChI=1S/C29H36N4O5S.2ClH/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30;;/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35);2*1H/t27-;;/m0../s1
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| InChIKey |
BOOVWZSHSWNDCQ-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: PT01494, Beta-2 adrenergic receptor