General Information of the Compound
| Compound ID |
CP0754348
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| Compound Name |
(S)-2-Cyclohexyl-6-((1-(2-methoxyethyl)piperidin-3-yl)methyl)-5-(2-methylpyridin-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C26H36N6O2
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| Molecular Weight |
464.614
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| Canonical SMILES |
COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(C4CCCCC4)nc3c2=O)C1
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| InChI |
InChI=1S/C26H36N6O2/c1-19-22(11-6-12-27-19)25-28-23-18-32(21-9-4-3-5-10-21)29-24(23)26(33)31(25)17-20-8-7-13-30(16-20)14-15-34-2/h6,11-12,18,20-21H,3-5,7-10,13-17H2,1-2H3/t20-/m0/s1
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| InChIKey |
RLKMJTKFFHEYDG-FQEVSTJZSA-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