General Information of the Compound
| Compound ID |
CP0409587
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| Compound Name |
4-{5-[(4-Fluoro-phenyl)-(3-methyl-ureido)-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 |
C32H32FN7O5S
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| Molecular Weight |
645.717
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| Canonical SMILES |
CNC(=O)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/C32H32FN7O5S/c1-34-32(42)37-29(22-6-10-25(33)11-7-22)31-38-30(39-45-31)23-8-14-27(15-9-23)46(43,44)40-26-12-4-21(5-13-26)16-18-36-20-28(41)24-3-2-17-35-19-24/h2-15,17,19,28-29,36,40-41H,16,18,20H2,1H3,(H2,34,37,42)/t28-,29?/m0/s1
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| InChIKey |
DVYQAZHFWGJCRQ-XLTVJXRZSA-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