General Information of the Compound
| Compound ID |
CP0305495
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| Compound Name |
1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
NC(=O)C1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
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| InChI |
InChI=1S/C25H28N6O/c26-23(32)19-9-14-31(15-10-19)25-20-17-30(16-18-6-2-1-3-7-18)13-11-21(20)28-24(29-25)22-8-4-5-12-27-22/h1-8,12,19H,9-11,13-17H2,(H2,26,32)
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| InChIKey |
QXYYYFOCWWWMNZ-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