General Information of the Compound
| Compound ID |
CP0518062
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| Compound Name |
propan-2-yl 2-[3-(4-carbamoyl-3-fluorophenoxy)propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C22H31FN2O4
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| Molecular Weight |
406.498
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(N)=O)c(F)c3)C2)CC1
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| InChI |
InChI=1S/C22H31FN2O4/c1-15(2)29-21(27)25-9-7-22(8-10-25)13-16(14-22)4-3-11-28-17-5-6-18(20(24)26)19(23)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H2,24,26)
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| InChIKey |
ZQHDNBQWZMDVFL-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