General Information of the Compound
| Compound ID |
CP0489724
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| Compound Name |
1-[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]-1-methylurea
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| Structure |
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| Formula |
C26H30F3N5O5S
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| Molecular Weight |
581.617
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| Canonical SMILES |
CN(C(N)=O)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)c2ccc(OC(F)(F)F)cc2)c(C)c1
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| InChI |
InChI=1S/C26H30F3N5O5S/c1-16-14-19(33(3)24(30)36)15-17(2)21(16)8-13-40(37,38)34-11-9-25(10-12-34)23(35)31-22(32-25)18-4-6-20(7-5-18)39-26(27,28)29/h4-7,14-15H,8-13H2,1-3H3,(H2,30,36)(H,31,32,35)
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| InChIKey |
LGSGQCLSKRZGPA-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