General Information of the Compound
| Compound ID |
CP0177764
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| Compound Name |
2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indolecarboxylic acid ethyl ester
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| Structure |
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| Formula |
C23H19NO4
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| Molecular Weight |
373.408
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| Canonical SMILES |
CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
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| InChI |
InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
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| InChIKey |
FPJGLEYOEDMWDB-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