General Information of the Compound
| Compound ID |
CP0505776
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| Compound Name |
(R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)ethyl)-3-(cyclohexyloxy)-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C30H37N3O5S
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| Molecular Weight |
551.709
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1
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| InChI |
InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-15-14-23(19-29(27)38-26-8-3-2-4-9-26)22-12-10-21(11-13-22)16-17-32-20-28(34)24-6-5-7-25(31)18-24/h5-7,10-15,18-19,26,28,32,34H,2-4,8-9,16-17,20,31H2,1H3,(H,33,35)/t28-/m0/s1
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| InChIKey |
ZGYZKUVOZXMDDH-NDEPHWFRSA-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