General Information of the Compound
| Compound ID |
CP0391924
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| Compound Name |
2-ethyl-3-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC2=O)c1C
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| InChI |
InChI=1S/C22H25N5O3/c1-4-27-14(3)20-19(25-27)17(28)11-22(30-20)5-7-26(8-6-22)21(29)15-9-13(2)18-16(10-15)12-23-24-18/h9-10,12H,4-8,11H2,1-3H3,(H,23,24)
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| InChIKey |
UWOFUCMPIIKAGB-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