General Information of the Compound
| Compound ID |
CP0213288
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| Compound Name |
3,6,6-trimethyl-5,7-dihydro-2H-indazol-4-one
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| Structure |
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| Formula |
C10H14N2O
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| Molecular Weight |
178.235
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| Canonical SMILES |
Cc1[nH]nc2CC(C)(C)CC(=O)c12
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| InChI |
InChI=1S/C10H14N2O/c1-6-9-7(12-11-6)4-10(2,3)5-8(9)13/h4-5H2,1-3H3,(H,11,12)
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| InChIKey |
HPTQHXKWSUVNNR-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