General Information of the Compound
| Compound ID |
CP0223510
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| Compound Name |
N-[1-[6-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C26H29ClN6O
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| Molecular Weight |
477.012
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| Canonical SMILES |
CC(=O)NC1CCN(CC1)c1nc(nc2CCN(Cc3ccc(Cl)cc3)Cc12)-c1ccccn1
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| InChI |
InChI=1S/C26H29ClN6O/c1-18(34)29-21-9-14-33(15-10-21)26-22-17-32(16-19-5-7-20(27)8-6-19)13-11-23(22)30-25(31-26)24-4-2-3-12-28-24/h2-8,12,21H,9-11,13-17H2,1H3,(H,29,34)
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| InChIKey |
IDLZDNFSWJZNPK-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