General Information of the Compound
| Compound ID |
CP0161883
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| Compound Name |
N-[2-(2,7-diazaspiro[4.4]nonan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C26H27F3N4O
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| Molecular Weight |
468.523
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC3(CCNC3)C2)cc1
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| InChI |
InChI=1S/C26H27F3N4O/c27-26(28,29)20-5-1-18(2-6-20)3-10-24(34)31-21-7-8-22-19(15-21)4-9-23(32-22)33-14-12-25(17-33)11-13-30-16-25/h1-2,4-9,15,30H,3,10-14,16-17H2,(H,31,34)
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| InChIKey |
APRWXACNSKEQER-UHFFFAOYSA-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