General Information of the Compound
| Compound ID |
CP0417917
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| Compound Name |
2-(2-aminothiazol-4-yl)-N-(4-(2-((R)-2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)propanamide
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| Structure |
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| Formula |
C21H25N5O2S
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| Molecular Weight |
411.531
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| Canonical SMILES |
CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1
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| InChI |
InChI=1S/C21H25N5O2S/c1-14(18-13-29-21(22)26-18)20(28)25-17-6-4-15(5-7-17)8-10-24-12-19(27)16-3-2-9-23-11-16/h2-7,9,11,13-14,19,24,27H,8,10,12H2,1H3,(H2,22,26)(H,25,28)/t14?,19-/m0/s1
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| InChIKey |
LZAQXTZRXQHMOK-PKDNWHCCSA-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