General Information of the Compound
| Compound ID |
CP0867282
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| Compound Name |
2-(3-Methoxyphenyl)-5-(2-methylpyridin-3-yl)-6-(((3S)-1-(oxetan-2-ylmethyl)piperidin-3-yl)methyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCO5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C28H32N6O3/c1-19-24(9-4-11-29-19)27-30-25-18-34(21-7-3-8-22(14-21)36-2)31-26(25)28(35)33(27)16-20-6-5-12-32(15-20)17-23-10-13-37-23/h3-4,7-9,11,14,18,20,23H,5-6,10,12-13,15-17H2,1-2H3/t20-,23?/m0/s1
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| InChIKey |
VSUOMXAZFZVBJV-AJZOCDQUSA-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