General Information of the Compound
| Compound ID |
CP0259647
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| Compound Name |
3-butyl-8-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]-7-propyl-xanthine
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| Structure |
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| Formula |
C17H20Cl2N6O3
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| Molecular Weight |
427.292
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| Canonical SMILES |
CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
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| InChI |
InChI=1S/C17H20Cl2N6O3/c1-3-5-7-24-14-13(15(26)22-17(24)28)23(6-4-2)11(21-14)9-25-16(27)12(19)10(18)8-20-25/h8H,3-7,9H2,1-2H3,(H,22,26,28)
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| InChIKey |
UOCKBSLTEWMSDN-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