General Information of the Compound
| Compound ID |
CP0633769
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| Compound Name |
2-(3-acetamido-4-chlorophenylamino)-N-(6H-thiazolo[5,4-e]indazol-2-yl)acetamide
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| Structure |
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| Formula |
C18H15ClN6O2S
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| Molecular Weight |
414.878
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| Canonical SMILES |
CC(=O)Nc1cc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl
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| InChI |
InChI=1S/C18H15ClN6O2S/c1-9(26)22-15-6-10(2-3-12(15)19)20-8-16(27)24-18-23-14-5-4-13-11(7-21-25-13)17(14)28-18/h2-7,20H,8H2,1H3,(H,21,25)(H,22,26)(H,23,24,27)
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| InChIKey |
BDLBLCWMNJLLLI-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: PT00980, Aurora kinase A
Protein ID: PT02377, Beta-adrenergic receptor kinase 1