General Information of the Compound
| Compound ID |
CP0417356
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| Compound Name |
3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-ylamino)ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C32H40N2O6S
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| Molecular Weight |
580.747
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](O)[C@H](C)NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1
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| InChI |
InChI=1S/C32H40N2O6S/c1-22(31(35)25-13-16-27(39-2)17-14-25)33-20-19-23-9-11-24(12-10-23)26-15-18-29(32(36)34-41(3,37)38)30(21-26)40-28-7-5-4-6-8-28/h9-18,21-22,28,31,33,35H,4-8,19-20H2,1-3H3,(H,34,36)/t22-,31-/m0/s1
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| InChIKey |
NNPXPVJWXCKXKP-UGDMGKLASA-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