General Information of the Compound
| Compound ID |
CP0143227
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| Compound Name |
2-chloranyl-3-[[4-(dimethylamino)phenyl]amino]naphthalene-1,4-dione
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| Structure |
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| Formula |
C18H15ClN2O2
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| Molecular Weight |
326.783
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| Canonical SMILES |
CN(C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C18H15ClN2O2/c1-21(2)12-9-7-11(8-10-12)20-16-15(19)17(22)13-5-3-4-6-14(13)18(16)23/h3-10,20H,1-2H3
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| InChIKey |
IFCBGAQTKDYXAL-UHFFFAOYSA-N
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| CAS |
42262-96-4
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3