General Information of the Compound
| Compound ID |
CP0377641
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| Compound Name |
N-[5-[2-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,3-thiazol-4-yl]pentyl]acetamide
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| Structure |
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| Formula |
C31H37N5O4S2
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| Molecular Weight |
607.802
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| Canonical SMILES |
CC(=O)NCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C31H37N5O4S2/c1-23(37)34-18-4-2-3-7-28-22-41-31(35-28)25-10-14-29(15-11-25)42(39,40)36-27-12-8-24(9-13-27)16-19-33-21-30(38)26-6-5-17-32-20-26/h5-6,8-15,17,20,22,30,33,36,38H,2-4,7,16,18-19,21H2,1H3,(H,34,37)/t30-/m0/s1
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| InChIKey |
PFUQHECIXMHSSX-PMERELPUSA-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