General Information of the Compound
| Compound ID |
CP0857591
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| Compound Name |
1-Isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic Acid{(1S,3R,5R)-8-Azabicyclo[3.2.1]oct-3-yl}amide
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3)cc2ccccc21
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| InChI |
InChI=1S/C20H25N3O2/c1-12(2)23-18-6-4-3-5-13(18)9-17(20(23)25)19(24)22-16-10-14-7-8-15(11-16)21-14/h3-6,9,12,14-16,21H,7-8,10-11H2,1-2H3,(H,22,24)/t14-,15+,16+
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| InChIKey |
KVJRSKCVVRBOEU-ZSHCYNCHSA-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