General Information of the Compound
| Compound ID |
CP0447626
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| Compound Name |
1'-(1H-benzo[d]imidazole-5-carbonyl)-5-methoxyspiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc[nH]c4c3)CC(=O)c12
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| InChI |
InChI=1S/C22H21N3O4/c1-28-18-3-2-4-19-20(18)17(26)12-22(29-19)7-9-25(10-8-22)21(27)14-5-6-15-16(11-14)24-13-23-15/h2-6,11,13H,7-10,12H2,1H3,(H,23,24)
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| InChIKey |
KSSPNAZKQNRMKC-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