General Information of the Compound
| Compound ID |
CP0389360
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| Compound Name |
1-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
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| Structure |
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| Formula |
C18H22N4O
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| Molecular Weight |
310.401
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| Canonical SMILES |
CC(=O)N1CCCn2nc(CN3CCCc4ccccc34)cc12
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| InChI |
InChI=1S/C18H22N4O/c1-14(23)21-10-5-11-22-18(21)12-16(19-22)13-20-9-4-7-15-6-2-3-8-17(15)20/h2-3,6,8,12H,4-5,7,9-11,13H2,1H3
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| InChIKey |
IBVLOHGCFXMGRU-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