General Information of the Compound
| Compound ID |
CP0860176
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| Compound Name |
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-{5-[4-(5H-tetrazol-5-yl)-phenoxymethyl]-[1,2,4]oxadiazol-3-yl}-benzenesulfonamide
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| Structure |
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| Formula |
C31H29N9O5S
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| Molecular Weight |
639.698
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| Canonical SMILES |
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1
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| InChI |
InChI=1S/C31H29N9O5S/c41-28(24-2-1-16-32-18-24)19-33-17-15-21-3-9-25(10-4-21)38-46(42,43)27-13-7-22(8-14-27)30-34-29(45-37-30)20-44-26-11-5-23(6-12-26)31-35-39-40-36-31/h1-14,16,18,28,31,33,38,41H,15,17,19-20H2/t28-/m0/s1
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| InChIKey |
JFXHDYCZEZLQSE-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor