General Information of the Compound
| Compound ID |
CP0449482
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| Compound Name |
3-{4-[8-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy-phenyl)-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-benzoylamino}-propionic acid
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| Structure |
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| Formula |
C30H34F3N3O6
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| Molecular Weight |
589.611
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| Canonical SMILES |
CC(C)(C)C1CCC2(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)N(C2=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C30H34F3N3O6/c1-28(2,3)21-12-15-29(16-13-21)26(40)36(22-8-10-23(11-9-22)42-30(31,32)33)27(41)35(29)18-19-4-6-20(7-5-19)25(39)34-17-14-24(37)38/h4-11,21H,12-18H2,1-3H3,(H,34,39)(H,37,38)
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| InChIKey |
YRDUYFDZUXHVNG-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