General Information of the Compound
| Compound ID |
CP0265963
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| Compound Name |
US9073922, 101
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| Structure |
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| Formula |
C21H20FN3O3
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| Molecular Weight |
381.407
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CO
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| InChI |
InChI=1S/C21H20FN3O3/c1-28-19-3-2-14(22)10-16(19)15-4-7-23-21-17(15)11-18(24-21)13-5-8-25(9-6-13)20(27)12-26/h2-5,7,10-11,26H,6,8-9,12H2,1H3,(H,23,24)
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| InChIKey |
NAWNCEFBLJLRNH-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: PT01235, Cyclin-dependent kinase 9
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000482 | NCI-H929 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 130 nM
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