General Information of the Compound
| Compound ID |
CP0377655
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| Compound Name |
3-[[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H20F6N4O2
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| Molecular Weight |
510.438
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)NC3(CCN(Cc4cccc(c4)C#N)CC3)C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F6N4O2/c25-23(26,27)18-9-17(10-19(11-18)24(28,29)30)14-34-20(35)22(32-21(34)36)4-6-33(7-5-22)13-16-3-1-2-15(8-16)12-31/h1-3,8-11H,4-7,13-14H2,(H,32,36)
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| InChIKey |
FEYZOHQAXQSELX-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