General Information of the Compound
| Compound ID |
CP0468307
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| Compound Name |
6-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-4-[4-(trifluoromethyl)phenyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
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| Structure |
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| Formula |
C23H27F3N6O2S
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| Molecular Weight |
508.57
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3OCCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C23H27F3N6O2S/c1-15-20(34-14-27-15)21-28-29-22(30(21)2)35-11-3-8-31-12-18-19(13-31)33-10-9-32(18)17-6-4-16(5-7-17)23(24,25)26/h4-7,14,18-19H,3,8-13H2,1-2H3
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| InChIKey |
GWXIZHPBMCIUCC-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