General Information of the Compound
| Compound ID |
CP0438564
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-(3-oxopentyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C28H31N5O5S
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| Molecular Weight |
549.653
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| Canonical SMILES |
CCC(=O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C28H31N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,26,30,33,35H,2,11,14-15,17,19H2,1H3/t26-/m0/s1
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| InChIKey |
YJTBKMNJMMUQAK-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