General Information of the Compound
| Compound ID |
CP0553284
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| Compound Name |
2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1
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| InChI |
InChI=1S/C25H28N4O3/c1-16-13-18(17-7-5-6-8-19(17)26-16)23(31)28-11-9-25(10-12-28)14-20(30)22-21(32-25)15-29(27-22)24(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3
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| InChIKey |
OKOVUVGLNCMZMG-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