General Information of the Compound
| Compound ID |
CP0417459
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| Compound Name |
(+/-)-N-((1R,3S)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)cyclopentyl)quinolin-3-amine
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| Structure |
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| Formula |
C22H18ClFN4O
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| Molecular Weight |
408.864
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| Canonical SMILES |
Fc1ccc(-c2noc(n2)[C@H]2CC[C@H](C2)Nc2cnc3ccccc3c2)c(Cl)c1
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| InChI |
InChI=1S/C22H18ClFN4O/c23-19-11-15(24)6-8-18(19)21-27-22(29-28-21)14-5-7-16(10-14)26-17-9-13-3-1-2-4-20(13)25-12-17/h1-4,6,8-9,11-12,14,16,26H,5,7,10H2/t14-,16+/m0/s1
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| InChIKey |
KCHAXEUWKHRAMR-GOEBONIOSA-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