General Information of the Compound
| Compound ID |
CP0492244
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| Compound Name |
(2R)-4-[3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]-cis-2,6-dimethylmorpholine
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| Structure |
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| Formula |
C24H28ClF4N3O3S
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| Molecular Weight |
550.018
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H28ClF4N3O3S/c1-15-12-30(22-6-4-18(26)10-20(22)24(27,28)29)8-9-32(15)36(33,34)23-7-5-19(11-21(23)25)31-13-16(2)35-17(3)14-31/h4-7,10-11,15-17H,8-9,12-14H2,1-3H3/t15-,16-,17+/m1/s1
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| InChIKey |
VKWWQEMYALMTST-ZACQAIPSSA-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