General Information of the Compound
| Compound ID |
CP0504520
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| Compound Name |
5-methoxy-1'-(2-(pyridin-3-yl)-1H-benzo[d]imidazole-5-carbonyl)spiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C27H24N4O4
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| Molecular Weight |
468.513
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| Canonical SMILES |
COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3cccnc3)CC(=O)c12
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| InChI |
InChI=1S/C27H24N4O4/c1-34-22-5-2-6-23-24(22)21(32)15-27(35-23)9-12-31(13-10-27)26(33)17-7-8-19-20(14-17)30-25(29-19)18-4-3-11-28-16-18/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,29,30)
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| InChIKey |
LZHLQEZPYNHOMS-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