General Information of the Compound
| Compound ID |
CP0132914
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| Compound Name |
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H28N6O3
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| Molecular Weight |
424.505
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C22H28N6O3/c1-21(2,3)16-12-18(28-31-16)25-20(30)23-14-9-7-13(8-10-14)15-11-17(27-26-15)24-19(29)22(4,5)6/h7-12H,1-6H3,(H2,23,25,28,30)(H2,24,26,27,29)
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| InChIKey |
XNKCXSVBIUSWQP-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