General Information of the Compound
| Compound ID |
CP0455944
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| Compound Name |
4-[3-[[4-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
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| Structure |
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| Formula |
C26H27F3N6O2S
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| Molecular Weight |
544.603
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| Canonical SMILES |
Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
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| InChIKey |
CRCNNTYVVVULMG-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