General Information of the Compound
| Compound ID |
CP0918695
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| Compound Name |
4-((2R,6S)-3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-2-trifluoromethyl-benzonitrile
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| Structure |
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| Formula |
C16H11F3N2O3
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| Molecular Weight |
336.269
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| Canonical SMILES |
N#Cc1ccc(N2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C16H11F3N2O3/c17-16(18,19)9-5-8(2-1-7(9)6-20)21-14(22)12-10-3-4-11(24-10)13(12)15(21)23/h1-2,5,10-13H,3-4H2/t10?,11?,12-,13+
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| InChIKey |
QZRQLVZGQQVBIK-BPNZPQAUSA-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