General Information of the Compound
| Compound ID |
CP0490829
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| Compound Name |
1'-(3,7-dimethyl-1H-indazole-5-carbonyl)-5-methoxyspiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
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| InChI |
InChI=1S/C24H25N3O4/c1-14-11-16(12-17-15(2)25-26-22(14)17)23(29)27-9-7-24(8-10-27)13-18(28)21-19(30-3)5-4-6-20(21)31-24/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
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| InChIKey |
SFQNJYPSTQRBCJ-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