General Information of the Compound
| Compound ID |
CP0538098
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| Compound Name |
2-tert-butyl-1'-[2-(2-methylphenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C31H32N4O3
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| Molecular Weight |
508.622
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| Canonical SMILES |
Cc1ccccc1-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1
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| InChI |
InChI=1S/C31H32N4O3/c1-20-9-5-6-10-21(20)25-17-23(22-11-7-8-12-24(22)32-25)29(37)34-15-13-31(14-16-34)18-26(36)28-27(38-31)19-35(33-28)30(2,3)4/h5-12,17,19H,13-16,18H2,1-4H3
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| InChIKey |
ZHCYYVIGKINALS-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