General Information of the Compound
| Compound ID |
CP0535454
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| Compound Name |
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(2-fluorobenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C24H20F7N3O3
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| Molecular Weight |
531.428
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| Canonical SMILES |
CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O
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| InChI |
InChI=1S/C24H20F7N3O3/c1-32-20(36)22(6-8-33(9-7-22)19(35)17-4-2-3-5-18(17)25)34(21(32)37)13-14-10-15(23(26,27)28)12-16(11-14)24(29,30)31/h2-5,10-12H,6-9,13H2,1H3
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| InChIKey |
YAMLMWXMDOFSKI-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