General Information of the Compound
| Compound ID |
CP0895497
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| Compound Name |
SID92764520
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| Structure |
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| Formula |
C25H19N3O4
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| Molecular Weight |
425.444
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| Canonical SMILES |
COc1ccc2c(c1)/C(=C\c1cccc(/C=C3/C(=O)Nc4ccc(OC)cc43)n1)C(=O)N2
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| InChI |
InChI=1S/C25H19N3O4/c1-31-16-6-8-22-18(12-16)20(24(29)27-22)10-14-4-3-5-15(26-14)11-21-19-13-17(32-2)7-9-23(19)28-25(21)30/h3-13H,1-2H3,(H,27,29)(H,28,30)/b20-10+,21-11+
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| InChIKey |
RSCGWRIXPSNEOA-CLVAPQHMSA-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: PT06172, Mothers against decapentaplegic homolog 3