General Information of the Compound
| Compound ID |
CP0536595
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| Compound Name |
7-(2-chlorophenyl)-12-[4-(4-methylpiperazin-1-yl)anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-one
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| Structure |
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| Formula |
C25H23ClN8O
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| Molecular Weight |
486.967
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
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| InChI |
InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)
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| InChIKey |
IICGNJDSNUEEHR-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: PT01675, Wee1-like protein kinase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000095 | NCI-H1299 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 1000 nM
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