General Information of the Compound
| Compound ID |
CP0877322
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| Compound Name |
3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}-ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
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| Structure |
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| Formula |
C30H39Cl2N3O4S
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| Molecular Weight |
608.632
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1.Cl.Cl
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| InChI |
InChI=1S/C30H37N3O4S.2ClH/c1-38(36,37)33-30(35)27-17-16-25(20-28(27)32-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-29(34)24-8-4-2-5-9-24;;/h2,4-5,8-9,12-17,20,26,29,31-32,34H,3,6-7,10-11,18-19,21H2,1H3,(H,33,35);2*1H/t29-;;/m0../s1
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| InChIKey |
SMVVULPQURWODQ-UJXPALLWSA-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