General Information of the Compound
| Compound ID |
CP0345717
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| Compound Name |
2-(trichloromethyl)-4-benzo[h][1]benzopyranone
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| Structure |
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| Formula |
C14H7Cl3O2
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| Molecular Weight |
313.567
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| Canonical SMILES |
ClC(Cl)(Cl)c1cc(=O)c2ccc3ccccc3c2o1
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| InChI |
InChI=1S/C14H7Cl3O2/c15-14(16,17)12-7-11(18)10-6-5-8-3-1-2-4-9(8)13(10)19-12/h1-7H
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| InChIKey |
PKSNUQRKJIEUSQ-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