General Information of the Compound
| Compound ID |
CP0495608
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| Compound Name |
2,3-dimethyl-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 |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
Cc1c2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2nn1C
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| InChI |
InChI=1S/C21H23N5O3/c1-12-8-14(9-15-11-22-23-17(12)15)20(28)26-6-4-21(5-7-26)10-16(27)18-19(29-21)13(2)25(3)24-18/h8-9,11H,4-7,10H2,1-3H3,(H,22,23)
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| InChIKey |
NXXFTQFAVPYTDI-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