General Information of the Compound
| Compound ID |
CP0403930
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| Compound Name |
8-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-methylsulfanylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C23H19F6N3O3S
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| Molecular Weight |
531.478
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| Canonical SMILES |
CSc1ccc(cc1)N1C(=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/C23H19F6N3O3S/c1-36-17-4-2-16(3-5-17)32-19(34)21(30-20(32)35)6-8-31(9-7-21)18(33)13-10-14(22(24,25)26)12-15(11-13)23(27,28)29/h2-5,10-12H,6-9H2,1H3,(H,30,35)
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| InChIKey |
XIGHZNHNNBLSRB-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