General Information of the Compound
| Compound ID |
CP0879926
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| Compound Name |
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-2-methoxy-N-quinolin-8-yl-benzamide
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| Structure |
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| Formula |
C26H21N3O4
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| Molecular Weight |
439.471
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| Canonical SMILES |
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)ccc1C(=O)Nc1cccc2cccnc12
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| InChI |
InChI=1S/C26H21N3O4/c1-33-20-13-17(29-25(31)21-15-7-8-16(12-15)22(21)26(29)32)9-10-18(20)24(30)28-19-6-2-4-14-5-3-11-27-23(14)19/h2-11,13,15-16,21-22H,12H2,1H3,(H,28,30)/t15-,16+,21-,22+
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| InChIKey |
KJEOBZFTMXXHTJ-NLZGTENKSA-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