General Information of the Compound
| Compound ID |
CP0485726
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| Compound Name |
1'-(1H-benzo[d][1,2,3]triazole-5-carbonyl)-5-methoxyspiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C21H20N4O4
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| Molecular Weight |
392.415
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| Canonical SMILES |
COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nn[nH]c4c3)CC(=O)c12
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| InChI |
InChI=1S/C21H20N4O4/c1-28-17-3-2-4-18-19(17)16(26)12-21(29-18)7-9-25(10-8-21)20(27)13-5-6-14-15(11-13)23-24-22-14/h2-6,11H,7-10,12H2,1H3,(H,22,23,24)
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| InChIKey |
HCPRJOJWNSYFOP-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