General Information of the Compound
| Compound ID |
CP0905405
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| Compound Name |
6-(((S)-1-((R)-2-Ethoxypropyl)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 |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
CCO[C@H](C)CN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1
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| InChI |
InChI=1S/C29H36N6O3/c1-5-38-20(2)16-33-14-8-9-22(17-33)18-34-28(25-12-7-13-30-21(25)3)31-26-19-35(32-27(26)29(34)36)23-10-6-11-24(15-23)37-4/h6-7,10-13,15,19-20,22H,5,8-9,14,16-18H2,1-4H3/t20-,22+/m1/s1
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| InChIKey |
WGFAFEDEEUGGOE-IRLDBZIGSA-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