General Information of the Compound
| Compound ID |
CP0417521
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| Compound Name |
3-(1H-indol-5-yl)-5,5-dimethylcyclohex-2-enone
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| Structure |
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| Formula |
C16H17NO
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| Molecular Weight |
239.318
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| Canonical SMILES |
CC1(C)CC(=O)C=C(C1)c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C16H17NO/c1-16(2)9-13(8-14(18)10-16)11-3-4-15-12(7-11)5-6-17-15/h3-8,17H,9-10H2,1-2H3
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| InChIKey |
RDXMMFIPOYJDQM-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