General Information of the Compound
| Compound ID |
CP0633766
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| Compound Name |
2-(4-chlorophenylamino)-2-methyl-N-(6H-thiazolo[5,4-e]indazol-2-yl)propanamide
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| Structure |
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| Formula |
C18H16ClN5OS
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| Molecular Weight |
385.88
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C18H16ClN5OS/c1-18(2,23-11-5-3-10(19)4-6-11)16(25)22-17-21-14-8-7-13-12(9-20-24-13)15(14)26-17/h3-9,23H,1-2H3,(H,20,24)(H,21,22,25)
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| InChIKey |
UWZBUGMYQWUJLU-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