General Information of the Compound
| Compound ID |
CP0417944
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| Compound Name |
2-(4-fluorophenyl)-4-propyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C23H27FN6O2
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| Molecular Weight |
438.507
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| Canonical SMILES |
CCCc1nc(oc1C(=O)NCCN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H27FN6O2/c1-2-4-19-20(32-22(28-19)17-5-7-18(24)8-6-17)21(31)25-11-12-29-13-15-30(16-14-29)23-26-9-3-10-27-23/h3,5-10H,2,4,11-16H2,1H3,(H,25,31)
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| InChIKey |
VBLZZEZAMDMOAN-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