General Information of the Compound
| Compound ID |
CP0408753
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| Compound Name |
methyl N-[(4-fluorophenyl)-[3-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
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| Structure |
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| Formula |
C32H31FN6O6S
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| Molecular Weight |
646.701
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| Canonical SMILES |
COC(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H31FN6O6S/c1-44-32(41)36-29(22-6-10-25(33)11-7-22)31-37-30(38-45-31)23-8-14-27(15-9-23)46(42,43)39-26-12-4-21(5-13-26)16-18-35-20-28(40)24-3-2-17-34-19-24/h2-15,17,19,28-29,35,39-40H,16,18,20H2,1H3,(H,36,41)/t28-,29?/m0/s1
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| InChIKey |
AYNAFGSPQRKZFM-XLTVJXRZSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor