General Information of the Compound
| Compound ID |
CP0401279
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| Compound Name |
3,3-dimethyl-5-m-tolyl-2,3-dihydro-1H-inden-1-one
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| Synonyms |
3,3-dimethyl-5-m-tolyl-2,3-dihydro-1H-inden-1-one
BDBM50299884
CHEMBL566982
IQXQUXAACBOTRO-UHFFFAOYSA-N
SCHEMBL4421269
ZINC45245855
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| Structure |
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| Formula |
C18H18O
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| Molecular Weight |
250.341
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc2C(=O)CC(C)(C)c2c1
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| InChI |
InChI=1S/C18H18O/c1-12-5-4-6-13(9-12)14-7-8-15-16(10-14)18(2,3)11-17(15)19/h4-10H,11H2,1-3H3
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| InChIKey |
IQXQUXAACBOTRO-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
Clinical Information about the Compound