General Information of the Compound
| Compound ID |
CP0469997
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| Compound Name |
4-(5-Butyl-[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 |
C27H31N5O4S
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| Molecular Weight |
521.643
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| Canonical SMILES |
CCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C27H31N5O4S/c1-2-3-6-26-30-27(31-36-26)21-9-13-24(14-10-21)37(34,35)32-23-11-7-20(8-12-23)15-17-29-19-25(33)22-5-4-16-28-18-22/h4-5,7-14,16,18,25,29,32-33H,2-3,6,15,17,19H2,1H3/t25-/m0/s1
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| InChIKey |
IVBYDRMQIHYTLX-VWLOTQADSA-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