General Information of the Compound
| Compound ID |
CP0366924
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| Compound Name |
4-[4-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]butyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C22H26F3N5O2S
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| Molecular Weight |
481.544
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C22H26F3N5O2S/c1-15-19(32-14-26-15)20-27-28-21(29(20)2)33-12-4-3-9-30-10-11-31-18(13-30)16-5-7-17(8-6-16)22(23,24)25/h5-8,14,18H,3-4,9-13H2,1-2H3
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| InChIKey |
WMFCPIPAGHYFMC-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