General Information of the Compound
| Compound ID |
CP0374902
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| Compound Name |
7-Ethyl-6-methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one
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| Structure |
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| Formula |
C16H16F3NO2
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| Molecular Weight |
311.303
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| Canonical SMILES |
CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
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| InChI |
InChI=1S/C16H16F3NO2/c1-3-12-8(2)4-9-5-10-11(16(17,18)19)6-15(21)22-14(10)7-13(9)20-12/h5-8,12,20H,3-4H2,1-2H3
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| InChIKey |
GTZWEKOQKQIWQD-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