General Information of the Compound
| Compound ID |
CP0918691
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| Compound Name |
trans-3,4-dimethyl-1-{4-[4-(m-trifluoromethylphenyl)piperazin-1-yl]cyclohexyl}-3-pyrroline-2,5-dione
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| Structure |
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| Formula |
C23H30F3N3O2
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| Molecular Weight |
437.506
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| Canonical SMILES |
CC1C(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1C
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| InChI |
InChI=1S/C23H30F3N3O2/c1-15-16(2)22(31)29(21(15)30)19-8-6-18(7-9-19)27-10-12-28(13-11-27)20-5-3-4-17(14-20)23(24,25)26/h3-5,14-16,18-19H,6-13H2,1-2H3
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| InChIKey |
CSFHFKZZZJQWHN-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