General Information of the Compound
| Compound ID |
CP0411497
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| Compound Name |
2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid
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| Structure |
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| Formula |
C16H14O6
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| Molecular Weight |
302.282
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| Canonical SMILES |
CC1OC(CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O
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| InChI |
InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)
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| InChIKey |
ZCJHPTKRISJQTN-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