General Information of the Compound
| Compound ID |
CP0518063
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| Compound Name |
propan-2-yl 2-[3-[4-[(2-amino-2-oxoethyl)carbamoyl]-3-fluorophenoxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H34FN3O5
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| Molecular Weight |
463.55
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(CC(CCCOc3ccc(C(=O)NCC(N)=O)c(F)c3)C2)CC1
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| InChI |
InChI=1S/C24H34FN3O5/c1-16(2)33-23(31)28-9-7-24(8-10-28)13-17(14-24)4-3-11-32-18-5-6-19(20(25)12-18)22(30)27-15-21(26)29/h5-6,12,16-17H,3-4,7-11,13-15H2,1-2H3,(H2,26,29)(H,27,30)
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| InChIKey |
OEGTTWMTCDOIJE-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