General Information of the Compound
| Compound ID |
CP0461021
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| Compound Name |
4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one
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| Structure |
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| Formula |
C13H10F3NO2
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| Molecular Weight |
269.222
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| Canonical SMILES |
FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12
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| InChI |
InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2
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| InChIKey |
XJDJBMLMMBPNGL-UHFFFAOYSA-N
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| CAS |
53518-16-4
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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