General Information of the Compound
| Compound ID |
CP0535309
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| Compound Name |
8-[3,5-bis(trifluoromethyl)benzoyl]-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C24H29F6N3O3
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| Molecular Weight |
521.502
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| Canonical SMILES |
CCCCCCCCN1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C24H29F6N3O3/c1-2-3-4-5-6-7-10-33-20(35)22(31-21(33)36)8-11-32(12-9-22)19(34)16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h13-15H,2-12H2,1H3,(H,31,36)
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| InChIKey |
LYFVQKKPLRCWGQ-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