General Information of the Compound
| Compound ID |
CP0346551
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| Compound Name |
(2R)-1-{[3-(4-ethylpiperazin-1-yl)phenyl]sulfonyl}-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazine
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| Structure |
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| Formula |
C24H30F4N4O2S
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| Molecular Weight |
514.589
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H30F4N4O2S/c1-3-29-9-11-30(12-10-29)20-5-4-6-21(16-20)35(33,34)32-14-13-31(17-18(32)2)23-8-7-19(25)15-22(23)24(26,27)28/h4-8,15-16,18H,3,9-14,17H2,1-2H3/t18-/m1/s1
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| InChIKey |
IYDCKVDSXPCRNQ-GOSISDBHSA-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