General Information of the Compound
| Compound ID |
CP0732542
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| Compound Name |
rac-2-(4-Fluorophenyl)-6-((1-isopropylpiperidin-3-yl)methyl)-5-o-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C27H30FN5O
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| Molecular Weight |
459.569
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| Canonical SMILES |
Cc1ccccc1-c1nc2cn(-c3ccc(F)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1
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| InChI |
InChI=1S/C27H30FN5O/c1-18(2)31-14-6-8-20(15-31)16-32-26(23-9-5-4-7-19(23)3)29-24-17-33(30-25(24)27(32)34)22-12-10-21(28)11-13-22/h4-5,7,9-13,17-18,20H,6,8,14-16H2,1-3H3
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| InChIKey |
PLNVEKRGBWVHLB-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