General Information of the Compound
| Compound ID |
CP0452339
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| Compound Name |
2-(4-(3,4-dimethylphenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethanamine
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| Structure |
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| Formula |
C27H36N4O
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| Molecular Weight |
432.612
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| Canonical SMILES |
CCCc1nc(c(CNCCN2CCN(CC2)c2ccc(C)c(C)c2)o1)-c1ccccc1
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| InChI |
InChI=1S/C27H36N4O/c1-4-8-26-29-27(23-9-6-5-7-10-23)25(32-26)20-28-13-14-30-15-17-31(18-16-30)24-12-11-21(2)22(3)19-24/h5-7,9-12,19,28H,4,8,13-18,20H2,1-3H3
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| InChIKey |
XYVFNTYPIZKOSP-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