General Information of the Compound
| Compound ID |
CP0852000
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| Compound Name |
N-((1R,3r,5S)-8-(5-hydroxypentyl)-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C25H35N3O3
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| Molecular Weight |
425.573
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCO)cc2ccccc21
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| InChI |
InChI=1S/C25H35N3O3/c1-17(2)28-23-9-5-4-8-18(23)14-22(25(28)31)24(30)26-19-15-20-10-11-21(16-19)27(20)12-6-3-7-13-29/h4-5,8-9,14,17,19-21,29H,3,6-7,10-13,15-16H2,1-2H3,(H,26,30)/t19-,20+,21-
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| InChIKey |
XGECCXLAUKRJFF-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