General Information of the Compound
| Compound ID |
CP0879921
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| Compound Name |
4-((1R,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-phenyl-benzamide
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| Structure |
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| Formula |
C22H18N2O3
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| Molecular Weight |
358.397
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| Canonical SMILES |
O=C(Nc1ccccc1)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/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,18-19H,12H2,(H,23,25)/t14-,15-,18-,19+/m0/s1
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| InChIKey |
VLVGQOXLFOCCMK-STEAMIEHSA-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