General Information of the Compound
| Compound ID |
CP0465784
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| Compound Name |
1'-(4-phenyl-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C25H21N3O2
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| Molecular Weight |
395.462
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| Canonical SMILES |
O=C1OC2(CCN(CC2)c2nc3c(cccc3[nH]2)-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H21N3O2/c29-23-19-9-4-5-11-20(19)25(30-23)13-15-28(16-14-25)24-26-21-12-6-10-18(22(21)27-24)17-7-2-1-3-8-17/h1-12H,13-16H2,(H,26,27)
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| InChIKey |
ZBKZVVFRUZQXJF-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