General Information of the Compound
| Compound ID |
CP0372824
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| Compound Name |
2-[5-[2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C17H15ClFN7O2S
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| Molecular Weight |
435.872
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)
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| InChIKey |
KNOWTUGIWCELJY-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