General Information of the Compound
| Compound ID |
CP0421152
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| Compound Name |
N-[4-[2-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,3-thiazol-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C32H31N5O4S2
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| Molecular Weight |
613.765
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C32H31N5O4S2/c1-22(38)35-27-12-6-24(7-13-27)30-21-42-32(36-30)25-8-14-29(15-9-25)43(40,41)37-28-10-4-23(5-11-28)16-18-34-20-31(39)26-3-2-17-33-19-26/h2-15,17,19,21,31,34,37,39H,16,18,20H2,1H3,(H,35,38)/t31-/m0/s1
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| InChIKey |
YKAVVIHZGFUKAP-HKBQPEDESA-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