General Information of the Compound
| Compound ID |
CP0403698
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| Compound Name |
2-[5-[2-[2-(2-chloro-5-fluorophenyl)-2,7-diazaspiro[3.5]nonan-7-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C19H19ClFN7O2S
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| Molecular Weight |
463.926
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1
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| InChI |
InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)
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| InChIKey |
AILTXRICMKUDKL-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