General Information of the Compound
| Compound ID |
CP0446062
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| Compound Name |
7-N-benzyl-1,3-dipropyl-8-[N-1-(4-iodo)pyrazolyl]xanthine
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| Structure |
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| Formula |
C21H23IN6O2
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| Molecular Weight |
518.359
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| Canonical SMILES |
CCCn1c2nc(-n3cc(I)cn3)n(Cc3ccccc3)c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C21H23IN6O2/c1-3-10-25-18-17(19(29)26(11-4-2)21(25)30)27(13-15-8-6-5-7-9-15)20(24-18)28-14-16(22)12-23-28/h5-9,12,14H,3-4,10-11,13H2,1-2H3
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| InChIKey |
IIXLKKGNJNOSOT-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