General Information of the Compound
| Compound ID |
CP0377444
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| Compound Name |
1'-(3H-imidazo[4,5-b]pyridin-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
O=C1OC2(CCN(CC2)c2nc3ncccc3[nH]2)c2ccccc12
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| InChI |
InChI=1S/C18H16N4O2/c23-16-12-4-1-2-5-13(12)18(24-16)7-10-22(11-8-18)17-20-14-6-3-9-19-15(14)21-17/h1-6,9H,7-8,10-11H2,(H,19,20,21)
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| InChIKey |
HGIKLJRULHRHFD-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