General Information of the Compound
| Compound ID |
CP0529998
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| Compound Name |
3-[3,5-bis(trifluoromethyl)phenyl]-8-(2,4,6-trimethylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C25H23F6N3O3
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| Molecular Weight |
527.465
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| Canonical SMILES |
Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(C3=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C25H23F6N3O3/c1-13-8-14(2)19(15(3)9-13)20(35)33-6-4-23(5-7-33)21(36)34(22(37)32-23)18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h8-12H,4-7H2,1-3H3,(H,32,37)
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| InChIKey |
FCQUYOHKAODPNN-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