General Information of the Compound
| Compound ID |
CP0570529
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| Compound Name |
3-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C27H28F3N5O6S
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| Molecular Weight |
607.611
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| Canonical SMILES |
Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)CNC1=O
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| InChI |
InChI=1S/C27H28F3N5O6S/c1-16-13-19(35-22(36)15-31-25(35)38)14-17(2)21(16)7-12-42(39,40)34-10-8-26(9-11-34)24(37)32-23(33-26)18-3-5-20(6-4-18)41-27(28,29)30/h3-6,13-14H,7-12,15H2,1-2H3,(H,31,38)(H,32,33,37)
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| InChIKey |
MNSDHKXTTTVSTR-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