General Information of the Compound
| Compound ID |
CP0529705
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| Compound Name |
8-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
CCCc1c(cnn1-c1ccccc1)-c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
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| InChI |
InChI=1S/C23H28N6O2/c1-4-10-18-17(15-24-29(18)16-11-8-7-9-12-16)20-25-19-21(26-20)27(13-5-2)23(31)28(14-6-3)22(19)30/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,25,26)
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| InChIKey |
OIFQJLUNVXZJQR-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