General Information of the Compound
| Compound ID |
CP0175585
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| Compound Name |
8-(quinoline-5-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
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| Structure |
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| Formula |
C26H25F3N4O3
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| Molecular Weight |
498.505
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3ncccc23)cc1
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| InChI |
InChI=1S/C26H25F3N4O3/c27-26(28,29)36-19-8-6-18(7-9-19)31-24(35)33-16-12-25(17-33)10-14-32(15-11-25)23(34)21-3-1-5-22-20(21)4-2-13-30-22/h1-9,13H,10-12,14-17H2,(H,31,35)
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| InChIKey |
XKWYEBRENWAKQW-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