General Information of the Compound
| Compound ID |
CP0732546
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| Compound Name |
5-Isobutyl-2-(3-methoxyphenyl)-6-(((S)-1-(((R)-tetrahydrofuran-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 |
C27H37N5O3
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| Molecular Weight |
479.625
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| Canonical SMILES |
COc1cccc(-n2cc3nc(CC(C)C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C27H37N5O3/c1-19(2)13-25-28-24-18-32(21-8-4-9-22(14-21)34-3)29-26(24)27(33)31(25)16-20-7-5-11-30(15-20)17-23-10-6-12-35-23/h4,8-9,14,18-20,23H,5-7,10-13,15-17H2,1-3H3/t20-,23+/m0/s1
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| InChIKey |
MRZJLNUDNFFRDZ-NZQKXSOJSA-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