General Information of the Compound
| Compound ID |
CP0439137
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| Compound Name |
2-[4-(2-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]ethanamine
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| Structure |
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| Formula |
C26H34N4O
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| Molecular Weight |
418.585
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| Canonical SMILES |
CCCc1nc(c(CNCCN2CCN(CC2)c2ccccc2C)o1)-c1ccccc1
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| InChI |
InChI=1S/C26H34N4O/c1-3-9-25-28-26(22-11-5-4-6-12-22)24(31-25)20-27-14-15-29-16-18-30(19-17-29)23-13-8-7-10-21(23)2/h4-8,10-13,27H,3,9,14-20H2,1-2H3
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| InChIKey |
RPOSFRWJZDHBGE-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