General Information of the Compound
| Compound ID |
CP0535312
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| Compound Name |
US9388140, 8
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)
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| InChIKey |
WFQNVXVCPSPGPD-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 = 2480 nM
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TI
LI
LO
TS
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