General Information of the Compound
| Compound ID |
CP0469861
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| Compound Name |
2-(4-fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole
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| Structure |
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| Formula |
C24H30FN5O2
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| Molecular Weight |
439.535
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| Canonical SMILES |
CCCc1nc(oc1COC(C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H30FN5O2/c1-3-5-21-22(32-23(28-21)19-6-8-20(25)9-7-19)17-31-18(2)16-29-12-14-30(15-13-29)24-26-10-4-11-27-24/h4,6-11,18H,3,5,12-17H2,1-2H3
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| InChIKey |
KTDHDMSKQGZSFD-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