General Information of the Compound
| Compound ID |
CP0393943
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(5-pentyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C28H33N5O4S/c1-2-3-4-7-27-31-28(32-37-27)22-10-14-25(15-11-22)38(35,36)33-24-12-8-21(9-13-24)16-18-30-20-26(34)23-6-5-17-29-19-23/h5-6,8-15,17,19,26,30,33-34H,2-4,7,16,18,20H2,1H3/t26-/m0/s1
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| InChIKey |
IOGUTFPQVFMFNM-SANMLTNESA-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