General Information of the Compound
| Compound ID |
CP0439533
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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)-piperidine-1-carboxylic acid quinolin-8-ylamide
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
O=C(Nc1cccc2cccnc12)N1CCC(CC1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
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| InChI |
InChI=1S/C24H24N4O3/c29-22-19-15-6-7-16(13-15)20(19)23(30)28(22)17-8-11-27(12-9-17)24(31)26-18-5-1-3-14-4-2-10-25-21(14)18/h1-7,10,15-17,19-20H,8-9,11-13H2,(H,26,31)/t15-,16+,19-,20+
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| InChIKey |
JTPWPQVFMLREET-NFQUHZNNSA-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