General Information of the Compound
| Compound ID |
CP0207102
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| Compound Name |
1-(4-(2-(1-aminoethyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
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| Structure |
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| Formula |
C22H24Cl2F3N3O
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| Molecular Weight |
474.354
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| Canonical SMILES |
CC(N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H24Cl2F3N3O/c1-14(28)18-12-16(22(25,26)27)4-6-20(18)29-8-10-30(11-9-29)21(31)7-3-15-2-5-17(23)13-19(15)24/h2,4-6,12-14H,3,7-11,28H2,1H3
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| InChIKey |
ALICJAVKXRNQDP-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