General Information of the Compound
| Compound ID |
CP0096178
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| Compound Name |
2-[5-[3-[2-(2-chloro-5-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C18H17ClFN7O3
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| Molecular Weight |
433.831
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)
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| InChIKey |
ZMSGLYQOQFYEBI-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
Protein ID: PT04078, Acyl-CoA (8-3)-desaturase
Protein ID: PT03698, Acyl-CoA 6-desaturase
Protein ID: PT01587, Stearoyl-CoA desaturase