General Information of the Compound
| Compound ID |
CP0879923
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| Compound Name |
N-(2,6-Difluoro-phenyl)-4-((1R,2S,6R,7S)-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzamide
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| Structure |
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| Formula |
C22H16F2N2O3
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| Molecular Weight |
394.377
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| Canonical SMILES |
O=C(Nc1c(F)cccc1F)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1
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| InChI |
InChI=1S/C22H16F2N2O3/c23-15-2-1-3-16(24)19(15)25-20(27)11-6-8-14(9-7-11)26-21(28)17-12-4-5-13(10-12)18(17)22(26)29/h1-9,12-13,17-18H,10H2,(H,25,27)/t12-,13+,17-,18+
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| InChIKey |
IYGKPBRLQXILEX-WVMBZCLNSA-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