General Information of the Compound
| Compound ID |
CP0903017
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| Compound Name |
8-((1R,3r,5S)-3-(1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamido)-8-azabicyclo[3.2.1]octan-8-yl)octane-1-sulfonic acid
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| Formula |
C28H41N3O5S
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| Molecular Weight |
531.719
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCCCCS(=O)(=O)O)cc2ccccc21
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| InChI |
InChI=1S/C28H41N3O5S/c1-20(2)31-26-12-8-7-11-21(26)17-25(28(31)33)27(32)29-22-18-23-13-14-24(19-22)30(23)15-9-5-3-4-6-10-16-37(34,35)36/h7-8,11-12,17,20,22-24H,3-6,9-10,13-16,18-19H2,1-2H3,(H,29,32)(H,34,35,36)/t22-,23+,24-
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| InChIKey |
NVUNCOGTGKUEBQ-BKFWDETESA-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