General Information of the Compound
| Compound ID |
CP0880013
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| Compound Name |
N-((1R,3r,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2
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| InChI |
InChI=1S/C22H29N3O2/c1-4-24-17-9-10-18(24)13-16(12-17)23-21(26)19-11-15-7-5-6-8-20(15)25(14(2)3)22(19)27/h5-8,11,14,16-18H,4,9-10,12-13H2,1-3H3,(H,23,26)/t16-,17+,18-
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| InChIKey |
VEIDKIPDKMIJHI-BCDXTJNWSA-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