General Information of the Compound
| Compound ID |
CP0441620
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| Compound Name |
1-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-3-octylurea
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| Structure |
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| Formula |
C30H41N5O4S
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| Molecular Weight |
567.756
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| Canonical SMILES |
CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C30H41N5O4S/c1-2-3-4-5-6-7-20-33-30(37)34-26-14-16-28(17-15-26)40(38,39)35-27-12-10-24(11-13-27)18-21-32-23-29(36)25-9-8-19-31-22-25/h8-17,19,22,29,32,35-36H,2-7,18,20-21,23H2,1H3,(H2,33,34,37)/t29-/m0/s1
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| InChIKey |
URPKPLOGQTWZLC-LJAQVGFWSA-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