General Information of the Compound
| Compound ID |
CP0004490
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| Compound Name |
MLS001204081
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24)
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| InChIKey |
CVIIJBCJKCLLCV-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