General Information of the Compound
| Compound ID |
CP0945574
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| Compound Name |
(2R,6S)-4-(3-trifluoromethyl-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C15H12F3NO3
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| Molecular Weight |
311.259
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| Canonical SMILES |
O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C15H12F3NO3/c16-15(17,18)7-2-1-3-8(6-7)19-13(20)11-9-4-5-10(22-9)12(11)14(19)21/h1-3,6,9-12H,4-5H2/t9?,10?,11-,12+
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| InChIKey |
DZOSFVGASVRXRK-CAODYFQJSA-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