General Information of the Compound
| Compound ID |
CP0369179
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| Compound Name |
2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]morpholine
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| Structure |
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| Formula |
C21H23F4N5O2S
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| Molecular Weight |
485.507
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2F)C(F)(F)F)n1C
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| InChI |
InChI=1S/C21H23F4N5O2S/c1-13-18(32-12-26-13)19-27-28-20(29(19)2)33-9-3-6-30-7-8-31-17(11-30)15-5-4-14(10-16(15)22)21(23,24)25/h4-5,10,12,17H,3,6-9,11H2,1-2H3
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| InChIKey |
YMRDVYNNWZFRFP-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