General Information of the Compound
| Compound ID |
CP0497531
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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)-cyclohexanecarboxylic acid(4-methyl-quinolin-8-yl)-amide
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
Cc1ccnc2c(NC(=O)[C@H]3CC[C@@H](CC3)N3C(=O)[C@H]4[C@@H]5C[C@@H](C=C5)[C@H]4C3=O)cccc12
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| InChI |
InChI=1S/C26H27N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-6,11-12,15-18,21-22H,7-10,13H2,1H3,(H,28,30)/t15-,16-,17+,18-,21-,22+
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| InChIKey |
YRGQAVAKRGMMAR-MJNMERRXSA-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