General Information of the Compound
| Compound ID |
CP0818149
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| Compound Name |
SID14743084
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| Structure |
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| Formula |
C26H20N2O3S
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| Molecular Weight |
440.524
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| Canonical SMILES |
COc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1O
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| InChI |
InChI=1S/C26H20N2O3S/c1-16-25(17-8-4-3-5-9-17)28-26(32-16)27-20-15-24(31-22-11-7-6-10-19(20)22)18-12-13-23(30-2)21(29)14-18/h3-15,29H,1-2H3/b27-20+
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| InChIKey |
BEFRCYZNZWJUMT-NHFJDJAPSA-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