General Information of the Compound
| Compound ID |
CP0456586
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| Compound Name |
1-[4-[5-[4-(2-amino-3-hydroxypropoxy)-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-2,2-dimethylbutan-1-one
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| Structure |
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| Formula |
C21H29ClFN5O4
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| Molecular Weight |
469.945
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| Canonical SMILES |
CCC(C)(C)C(=O)N1CCN(CC1)c1noc(n1)-c1cc(F)c(OCC(N)CO)cc1Cl
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| InChI |
InChI=1S/C21H29ClFN5O4/c1-4-21(2,3)19(30)27-5-7-28(8-6-27)20-25-18(32-26-20)14-9-16(23)17(10-15(14)22)31-12-13(24)11-29/h9-10,13,29H,4-8,11-12,24H2,1-3H3
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| InChIKey |
RFNUHQIRXMMLTH-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