General Information of the Compound
| Compound ID |
CP0633748
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| Compound Name |
2-(4-chloro-3-propionamidophenylamino)-2-methyl-N-(6H-thiazolo[5,4-e]indazol-2-yl)propanamide
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| Structure |
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| Formula |
C21H21ClN6O2S
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| Molecular Weight |
456.959
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| Canonical SMILES |
CCC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl
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| InChI |
InChI=1S/C21H21ClN6O2S/c1-4-17(29)24-16-9-11(5-6-13(16)22)27-21(2,3)19(30)26-20-25-15-8-7-14-12(10-23-28-14)18(15)31-20/h5-10,27H,4H2,1-3H3,(H,23,28)(H,24,29)(H,25,26,30)
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| InChIKey |
AJPNQVZYWOGOKN-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