General Information of the Compound
| Compound ID |
CP0851998
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| Compound Name |
1-isopropyl-2-oxo-N-((1R,3r,5S)-8-pentyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C25H35N3O2
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| Molecular Weight |
409.574
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| Canonical SMILES |
CCCCCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2
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| InChI |
InChI=1S/C25H35N3O2/c1-4-5-8-13-27-20-11-12-21(27)16-19(15-20)26-24(29)22-14-18-9-6-7-10-23(18)28(17(2)3)25(22)30/h6-7,9-10,14,17,19-21H,4-5,8,11-13,15-16H2,1-3H3,(H,26,29)/t19-,20+,21-
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| InChIKey |
UBKBKEPCLMAPQL-WKCHPHFGSA-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