General Information of the Compound
| Compound ID |
CP0903934
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| Compound Name |
2-(3-Methoxyphenyl)-5-(2-methylpyridin-3-yl)-6-(((3S)-1-((tetrahydro-2H-pyran-2-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 |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCCO5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C30H36N6O3/c1-21-26(12-6-13-31-21)29-32-27-20-36(23-9-5-11-24(16-23)38-2)33-28(27)30(37)35(29)18-22-8-7-14-34(17-22)19-25-10-3-4-15-39-25/h5-6,9,11-13,16,20,22,25H,3-4,7-8,10,14-15,17-19H2,1-2H3/t22-,25?/m0/s1
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| InChIKey |
DXSXKWAMIQXRGJ-XADRRFQNSA-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