General Information of the Compound
| Compound ID |
CP0558161
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| Compound Name |
(R)-4-(8-(2-(2-Fluoro-5-(trifluoromethyl)benzamido)-3-methylbutanoyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)benzoic Acid
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| Structure |
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| Formula |
C28H28F4N4O6
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| Molecular Weight |
592.546
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H28F4N4O6/c1-15(2)21(33-22(37)19-14-17(28(30,31)32)6-9-20(19)29)23(38)35-12-10-27(11-13-35)25(41)34(3)26(42)36(27)18-7-4-16(5-8-18)24(39)40/h4-9,14-15,21H,10-13H2,1-3H3,(H,33,37)(H,39,40)/t21-/m1/s1
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| InChIKey |
CWSQVYFGLYCBFT-OAQYLSRUSA-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