General Information of the Compound
| Compound ID |
CP0477637
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| Compound Name |
4-[4-[(3-chlorophenoxy)methyl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C26H24ClN5O2
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| Molecular Weight |
473.964
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(c12)c1ccc(COc2cccc(Cl)c2)cc1)-c1nc(C)cc(C)n1
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| InChI |
InChI=1S/C26H24ClN5O2/c1-15-11-16(2)29-26(28-15)32-25-24(17(3)31-32)22(13-23(33)30-25)19-9-7-18(8-10-19)14-34-21-6-4-5-20(27)12-21/h4-12,22H,13-14H2,1-3H3,(H,30,33)
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| InChIKey |
BFJWHNFHTLBCGG-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