General Information of the Compound
| Compound ID |
CP0905404
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| Compound Name |
2-(3-Methoxyphenyl)-5-(2-methylpyridin-3-yl)-6-(((3S)-1-((tetrahydrofuran-3-yl)methyl)piperidin-3-yl)methyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C29H34N6O3
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| Molecular Weight |
514.63
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCOC5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C29H34N6O3/c1-20-25(9-4-11-30-20)28-31-26-18-35(23-7-3-8-24(14-23)37-2)32-27(26)29(36)34(28)17-21-6-5-12-33(15-21)16-22-10-13-38-19-22/h3-4,7-9,11,14,18,21-22H,5-6,10,12-13,15-17,19H2,1-2H3/t21-,22?/m0/s1
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| InChIKey |
JLABJTKEDUXGHN-HMTLIYDFSA-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