General Information of the Compound
| Compound ID |
CP0538097
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| Compound Name |
5-(3,4-dichlorophenyl)-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C17H14Cl2O
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| Molecular Weight |
305.204
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| Canonical SMILES |
CC1(C)CC(=O)c2ccc(cc12)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H14Cl2O/c1-17(2)9-16(20)12-5-3-10(7-13(12)17)11-4-6-14(18)15(19)8-11/h3-8H,9H2,1-2H3
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| InChIKey |
CAOICKPXCSBGBD-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