General Information of the Compound
| Compound ID |
CP0439136
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| Compound Name |
N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
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| Structure |
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| Formula |
C27H33F3N4O
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| Molecular Weight |
486.582
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| Canonical SMILES |
CCCc1nc(c(CNCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)o1)-c1ccccc1
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| InChI |
InChI=1S/C27H33F3N4O/c1-2-8-25-32-26(21-9-4-3-5-10-21)24(35-25)20-31-13-7-14-33-15-17-34(18-16-33)23-12-6-11-22(19-23)27(28,29)30/h3-6,9-12,19,31H,2,7-8,13-18,20H2,1H3
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| InChIKey |
URXQLFJLHJOMLX-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