General Information of the Compound
| Compound ID |
CP0637465
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| Compound Name |
2-(4-chloro-3-hydroxyphenylamino)-N-(6H-thiazolo[5,4-e]indazol-2-yl)acetamide
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| Structure |
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| Formula |
C16H12ClN5O2S
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| Molecular Weight |
373.825
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| Canonical SMILES |
O=C(CNc1ccc(Cl)c(O)c1)Nc1nc2ccc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C16H12ClN5O2S/c17-10-2-1-8(5-13(10)23)18-7-14(24)21-16-20-12-4-3-11-9(6-19-22-11)15(12)25-16/h1-6,18,23H,7H2,(H,19,22)(H,20,21,24)
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| InChIKey |
FJXAKWGPTCSFIG-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