General Information of the Compound
| Compound ID |
CP0437800
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| Compound Name |
(R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-p-tolyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl)-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H30F4N4O4
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| Molecular Weight |
562.564
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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(C)cc1
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| InChI |
InChI=1S/C28H30F4N4O4/c1-16(2)22(33-23(37)20-15-18(28(30,31)32)7-10-21(20)29)24(38)35-13-11-27(12-14-35)25(39)34(4)26(40)36(27)19-8-5-17(3)6-9-19/h5-10,15-16,22H,11-14H2,1-4H3,(H,33,37)/t22-/m1/s1
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| InChIKey |
BHKGLCMPKLMIIW-JOCHJYFZSA-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