General Information of the Compound
| Compound ID |
CP0409859
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| Compound Name |
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(2-naphthalen-1-ylethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C28H25F6N3O4S
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| Molecular Weight |
613.58
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)NC3(CCN(CC3)S(=O)(=O)CCc3cccc4ccccc34)C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F6N3O4S/c29-27(30,31)21-14-18(15-22(16-21)28(32,33)34)17-37-24(38)26(35-25(37)39)9-11-36(12-10-26)42(40,41)13-8-20-6-3-5-19-4-1-2-7-23(19)20/h1-7,14-16H,8-13,17H2,(H,35,39)
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| InChIKey |
IKANDILRQJBOOG-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