General Information of the Compound
| Compound ID |
CP0567591
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| Compound Name |
4-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1-methylpiperazin-2-one
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| Structure |
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| Formula |
C17H19ClF3N3O2
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| Molecular Weight |
389.805
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| Canonical SMILES |
CN1CCN(CC1=O)C(=O)C1CCN(C1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H19ClF3N3O2/c1-22-6-7-24(10-15(22)25)16(26)11-4-5-23(9-11)12-2-3-14(18)13(8-12)17(19,20)21/h2-3,8,11H,4-7,9-10H2,1H3
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| InChIKey |
GSWKVEFNZIDKIB-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