General Information of the Compound
| Compound ID |
CP0401993
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| Compound Name |
2-[5-[5-[2-(2-chloro-5-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C17H16ClFN8O2S
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| Molecular Weight |
450.887
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)
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| InChIKey |
WSZOBKWISDXEFE-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