General Information of the Compound
| Compound ID |
CP0345718
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| Compound Name |
MLS000715346
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| Structure |
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| Formula |
C22H24N2O3
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| Molecular Weight |
364.445
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| Canonical SMILES |
CCCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C22H24N2O3/c1-3-4-11-19(25)24-21(16-9-5-6-10-18(16)27-2)17-13-12-15-8-7-14-23-20(15)22(17)26/h5-10,12-14,21,26H,3-4,11H2,1-2H3,(H,24,25)
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| InChIKey |
PMTOJOBSFYBPBL-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8