General Information of the Compound
| Compound ID |
CP0414155
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| Compound Name |
US10022354, Example 108
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| Structure |
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| Formula |
C21H24N6O
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| Molecular Weight |
376.464
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CC=C(C1)c1cc(cc(C)n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H24N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h5,7-11,13H,6,12H2,1-4H3,(H,24,25)
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| InChIKey |
UNVTWPGKENJFGV-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