General Information of the Compound
| Compound ID |
CP0426131
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| Compound Name |
[2-(4-butan-2-ylanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
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| Structure |
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| Formula |
C20H20N2O3S
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| Molecular Weight |
368.458
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| Canonical SMILES |
CCC(C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1
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| InChI |
InChI=1S/C20H20N2O3S/c1-3-13(2)14-4-7-16(8-5-14)22-19(23)11-25-20(24)15-6-9-17-18(10-15)26-12-21-17/h4-10,12-13H,3,11H2,1-2H3,(H,22,23)
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| InChIKey |
XFFOBYXWCSCZQG-UHFFFAOYSA-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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor