General Information of the Compound
| Compound ID |
CP0112250
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| Compound Name |
BMCL181297 Compound 5A
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| Structure |
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| Formula |
C19H18N4O3S
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| Molecular Weight |
382.445
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| Canonical SMILES |
COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
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| InChI |
InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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| InChIKey |
SMOWDUACKVMUAN-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: PT02805, CREB-binding protein
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic