General Information of the Compound
| Compound ID |
CP0010278
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| Compound Name |
MLS001163495
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| Structure |
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| Formula |
C22H18N2O2
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| Molecular Weight |
342.398
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| Canonical SMILES |
CC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C22H18N2O2/c1-14(25)24-20(18-9-8-15-5-2-3-6-17(15)13-18)19-11-10-16-7-4-12-23-21(16)22(19)26/h2-13,20,26H,1H3,(H,24,25)
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| InChIKey |
XYWUROGWOKDNIK-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: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8