General Information of the Compound
| Compound ID |
CP0463492
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(5-propyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C26H29N5O4S
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| Molecular Weight |
507.616
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| Canonical SMILES |
CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C26H29N5O4S/c1-2-4-25-29-26(30-35-25)20-8-12-23(13-9-20)36(33,34)31-22-10-6-19(7-11-22)14-16-28-18-24(32)21-5-3-15-27-17-21/h3,5-13,15,17,24,28,31-32H,2,4,14,16,18H2,1H3/t24-/m0/s1
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| InChIKey |
ITXAAADARXPCRG-DEOSSOPVSA-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