General Information of the Compound
| Compound ID |
CP0891006
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| Compound Name |
N-(3,5-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(Nc1cc(F)cc(F)c1)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/c23-14-8-15(24)10-16(9-14)25-20(27)11-3-5-17(6-4-11)26-21(28)18-12-1-2-13(7-12)19(18)22(26)29/h1-6,8-10,12-13,18-19H,7H2,(H,25,27)/t12-,13+,18-,19+
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| InChIKey |
WAMQAWARVRFHGW-QXUMQBBKSA-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