General Information of the Compound
| Compound ID |
CP0324092
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| Compound Name |
4-[3-[[4-methyl-5-[4-(1,2,4-triazol-4-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 |
C25H26F3N7OS
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| Molecular Weight |
529.592
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| Canonical SMILES |
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-n1cnnc1
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| InChI |
InChI=1S/C25H26F3N7OS/c1-33-23(19-5-9-21(10-6-19)35-16-29-30-17-35)31-32-24(33)37-14-2-11-34-12-13-36-22(15-34)18-3-7-20(8-4-18)25(26,27)28/h3-10,16-17,22H,2,11-15H2,1H3
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| InChIKey |
IHKSAHBRVXUIPJ-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