General Information of the Compound
| Compound ID |
CP0767324
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| Compound Name |
(S)-6-((1-(2-Methoxyethyl)piperidin-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 |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1
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| InChI |
InChI=1S/C27H32N6O3/c1-19-23(10-5-11-28-19)26-29-24-18-33(21-8-4-9-22(15-21)36-3)30-25(24)27(34)32(26)17-20-7-6-12-31(16-20)13-14-35-2/h4-5,8-11,15,18,20H,6-7,12-14,16-17H2,1-3H3/t20-/m0/s1
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| InChIKey |
HGVSWJDEILCQIP-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