General Information of the Compound
| Compound ID |
CP0422347
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| Compound Name |
4-(5-Hexyl-[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 |
C29H35N5O4S
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| Molecular Weight |
549.697
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| Canonical SMILES |
CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/m0/s1
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| InChIKey |
TVOUXLLNJXDHQR-MHZLTWQESA-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