General Information of the Compound
| Compound ID |
CP0002875
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| Compound Name |
3-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C24H26FN5O
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| Molecular Weight |
419.504
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cccc(c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26FN5O/c1-18(17-29-12-14-30(15-13-29)24-26-10-3-11-27-24)28-23(31)21-5-2-4-20(16-21)19-6-8-22(25)9-7-19/h2-11,16,18H,12-15,17H2,1H3,(H,28,31)
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| InChIKey |
WPNFFQAYFPWCSA-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