General Information of the Compound
| Compound ID |
CP0326593
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| Compound Name |
US9388140, 1
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| Structure |
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
CC(C)CNc1cccc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1
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| InChI |
InChI=1S/C21H24N4O/c1-14(2)12-22-18-4-3-5-19-20(18)23-13-25(19)17-10-6-15(7-11-17)21(26)24-16-8-9-16/h3-7,10-11,13-14,16,22H,8-9,12H2,1-2H3,(H,24,26)
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| InChIKey |
AXLKQHJZSVWDDI-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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