General Information of the Compound
| Compound ID |
CP0959399
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| Compound Name |
(S)-6-((1-Isobutylpiperidin-3-yl)methyl)-2-(3-methoxyphenyl)-5-(2-methylpyridin-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C28H34N6O2
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| Molecular Weight |
486.62
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC(C)C)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C28H34N6O2/c1-19(2)15-32-13-7-8-21(16-32)17-33-27(24-11-6-12-29-20(24)3)30-25-18-34(31-26(25)28(33)35)22-9-5-10-23(14-22)36-4/h5-6,9-12,14,18-19,21H,7-8,13,15-17H2,1-4H3/t21-/m0/s1
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| InChIKey |
DJZNIRPNZYXGOB-NRFANRHFSA-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