General Information of the Compound
| Compound ID |
CP0935544
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| Compound Name |
3,4-dimethyl-1-{4-[4-(m-trifluoromethylphenyl)piperazin-1-yl]butyl}-3-pyrroline-2,5-dione
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| Structure |
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| Formula |
C21H28F3N3O2
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| Molecular Weight |
411.468
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| Canonical SMILES |
CC1C(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1C
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| InChI |
InChI=1S/C21H28F3N3O2/c1-15-16(2)20(29)27(19(15)28)9-4-3-8-25-10-12-26(13-11-25)18-7-5-6-17(14-18)21(22,23)24/h5-7,14-16H,3-4,8-13H2,1-2H3
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| InChIKey |
NQWNULMTHITOFM-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