General Information of the Compound
| Compound ID |
CP0576575
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| Compound Name |
1-[4-[5-chloro-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)phenoxy]piperidin-1-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-one
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| Structure |
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| Formula |
C24H26ClF6N3O2S
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| Molecular Weight |
569.999
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| Canonical SMILES |
Cc1c(Nc2nc3CCCCc3s2)cc(Cl)cc1OC1CCN(CC1)C(=O)CC(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H26ClF6N3O2S/c1-13-17(33-22-32-16-4-2-3-5-19(16)37-22)10-14(25)11-18(13)36-15-6-8-34(9-7-15)21(35)12-20(23(26,27)28)24(29,30)31/h10-11,15,20H,2-9,12H2,1H3,(H,32,33)
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| InChIKey |
QWFSPUISXUYUCI-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