General Information of the Compound
| Compound ID |
CP0382651
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| Compound Name |
2-[5-[2-[2-(2-chloro-5-fluorophenyl)-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 |
C18H17ClFN7O2S
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| Molecular Weight |
449.899
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)
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| InChIKey |
OLFQIHGVKPQPCF-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