General Information of the Compound
| Compound ID |
CP0800584
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| Compound Name |
(S)-6-((1-Isopropylpiperidin-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 |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1
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| InChI |
InChI=1S/C27H32N6O2/c1-18(2)31-13-7-8-20(15-31)16-32-26(23-11-6-12-28-19(23)3)29-24-17-33(30-25(24)27(32)34)21-9-5-10-22(14-21)35-4/h5-6,9-12,14,17-18,20H,7-8,13,15-16H2,1-4H3/t20-/m0/s1
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| InChIKey |
GIBLOLMSHZAKDQ-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