General Information of the Compound
| Compound ID |
CP0510841
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| Compound Name |
US11046688, Example 95
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| Structure |
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| Formula |
C22H20N8
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| Molecular Weight |
396.458
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| Canonical SMILES |
Cc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H20N8/c1-14-8-15(17-10-25-29(2)12-17)4-5-19(14)27-22-24-9-16-6-7-23-20(21(16)28-22)18-11-26-30(3)13-18/h4-13H,1-3H3,(H,24,27,28)
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| InChIKey |
ZSURBDONNIPHHP-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