General Information of the Compound
| Compound ID |
CP0078568
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| Compound Name |
2-[5-[2-[2-(2-chloro-5-methoxyphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C19H20ClN7O3S
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| Molecular Weight |
461.935
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| Canonical SMILES |
COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1
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| InChI |
InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)
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| InChIKey |
LUBIGWIZKPNYAR-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