General Information of the Compound
| Compound ID |
CP0011222
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| Compound Name |
3-(4-fluorophenyl)-5-propyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
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| Structure |
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| Formula |
C27H32FN5O
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| Molecular Weight |
461.585
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| Canonical SMILES |
CCCc1cc(cc(c1)-c1ccc(F)cc1)C(=O)NC(C)CN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C27H32FN5O/c1-3-5-21-16-23(22-6-8-25(28)9-7-22)18-24(17-21)26(34)31-20(2)19-32-12-14-33(15-13-32)27-29-10-4-11-30-27/h4,6-11,16-18,20H,3,5,12-15,19H2,1-2H3,(H,31,34)
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| InChIKey |
MFFYBKRVTCDKFD-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