General Information of the Compound
| Compound ID |
CP0549366
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| Compound Name |
(R)—N-(1-(1-(3-Chlorophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H27ClF4N4O4
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| Molecular Weight |
582.982
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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)c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H27ClF4N4O4/c1-15(2)21(33-22(37)19-13-16(27(30,31)32)7-8-20(19)29)23(38)35-11-9-26(10-12-35)24(39)34(3)25(40)36(26)18-6-4-5-17(28)14-18/h4-8,13-15,21H,9-12H2,1-3H3,(H,33,37)/t21-/m1/s1
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| InChIKey |
QRTLPAYPYOBWKI-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