General Information of the Compound
| Compound ID |
CP0440071
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| Compound Name |
4-{5-[Amino-(4-fluoro-phenyl)-methyl]-[1,2,4]oxadiazol-3-yl}-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
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| Structure |
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| Formula |
C30H29FN6O4S
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| Molecular Weight |
588.665
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| Canonical SMILES |
NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H29FN6O4S/c31-24-9-5-21(6-10-24)28(32)30-35-29(36-41-30)22-7-13-26(14-8-22)42(39,40)37-25-11-3-20(4-12-25)15-17-34-19-27(38)23-2-1-16-33-18-23/h1-14,16,18,27-28,34,37-38H,15,17,19,32H2/t27-,28?/m0/s1
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| InChIKey |
UZBJSCQYHBNMEV-MBMZGMDYSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor