General Information of the Compound
| Compound ID |
CP0509105
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| Compound Name |
US10479788, Example 35
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| Structure |
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| Formula |
C21H20N6O
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| Molecular Weight |
372.432
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccnc(C3CC3)c2n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H20N6O/c1-27-12-16(11-24-27)14-5-6-17(18(9-14)28-2)25-21-23-10-15-7-8-22-19(13-3-4-13)20(15)26-21/h5-13H,3-4H2,1-2H3,(H,23,25,26)
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| InChIKey |
BQNGELQJIILDMM-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: PT01348, Dual specificity protein kinase TTK