General Information of the Compound
| Compound ID |
CP0571938
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| Compound Name |
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[(4-nitrophenyl)methyl]piperidin-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-one
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| Formula |
C24H23FN6O4
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| Molecular Weight |
478.484
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| Canonical SMILES |
OC1(Cn2cnc3n(ncc3c2=O)-c2ccc(F)cc2)CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C24H23FN6O4/c25-18-3-7-19(8-4-18)30-22-21(13-27-30)23(32)29(16-26-22)15-24(33)9-11-28(12-10-24)14-17-1-5-20(6-2-17)31(34)35/h1-8,13,16,33H,9-12,14-15H2
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| InChIKey |
WFSMMEZIWXEAKE-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