General Information of the Compound
| Compound ID |
CP0405573
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| Compound Name |
2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C22H25ClN4O2S
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| Molecular Weight |
444.988
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| Canonical SMILES |
C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H25ClN4O2S/c1-15(25-14-20(28)17-3-2-4-18(23)12-17)13-26-19-7-5-16(6-8-19)11-21(29)27-22-24-9-10-30-22/h2-10,12,15,20,25-26,28H,11,13-14H2,1H3,(H,24,27,29)/t15-,20+/m1/s1
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| InChIKey |
XFJQPNTUWJJACN-QRWLVFNGSA-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