General Information of the Compound
| Compound ID |
CP0893151
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| Compound Name |
(S)-2-(3-Methoxyphenyl)-5-(2-methylpyridin-3-yl)-6-((1-(oxazol-5-ylmethyl)piperidin-3-yl)methyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C28H29N7O3
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| Molecular Weight |
511.586
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(Cc5cnco5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C28H29N7O3/c1-19-24(9-4-10-30-19)27-31-25-17-35(21-7-3-8-22(12-21)37-2)32-26(25)28(36)34(27)15-20-6-5-11-33(14-20)16-23-13-29-18-38-23/h3-4,7-10,12-13,17-18,20H,5-6,11,14-16H2,1-2H3/t20-/m0/s1
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| InChIKey |
GXRRVVOITAQZHR-FQEVSTJZSA-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