General Information of the Compound
| Compound ID |
CP0230834
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| Compound Name |
2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C26H31N7O2
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| Molecular Weight |
473.581
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| Canonical SMILES |
COc1ccc(CN2CCc3nc(nc(N4CCN(CC(N)=O)CC4)c3C2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C26H31N7O2/c1-35-20-7-5-19(6-8-20)16-32-11-9-22-21(17-32)26(30-25(29-22)23-4-2-3-10-28-23)33-14-12-31(13-15-33)18-24(27)34/h2-8,10H,9,11-18H2,1H3,(H2,27,34)
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| InChIKey |
AIUXFHAMZVHXRR-UHFFFAOYSA-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
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator