General Information of the Compound
| Compound ID |
CP0560308
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| Compound Name |
2-(4-(2,4-dimethylphenyl)piperazin-1-yl)-N-((3-(2-methoxyphenyl)isoxazol-5-yl)methyl)ethanamine
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
COc1ccccc1-c1cc(CNCCN2CCN(CC2)c2ccc(C)cc2C)on1
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| InChI |
InChI=1S/C25H32N4O2/c1-19-8-9-24(20(2)16-19)29-14-12-28(13-15-29)11-10-26-18-21-17-23(27-31-21)22-6-4-5-7-25(22)30-3/h4-9,16-17,26H,10-15,18H2,1-3H3
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| InChIKey |
GKFBOAPWTJBRLW-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