General Information of the Compound
| Compound ID |
CP0487830
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| Compound Name |
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]propan-1-amine
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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(CNCCCN2CCN(CC2)c2cccc(C)c2)o1)-c1ccccc1
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| InChI |
InChI=1S/C27H36N4O/c1-3-9-26-29-27(23-11-5-4-6-12-23)25(32-26)21-28-14-8-15-30-16-18-31(19-17-30)24-13-7-10-22(2)20-24/h4-7,10-13,20,28H,3,8-9,14-19,21H2,1-2H3
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| InChIKey |
KZXRXCHIXHONCA-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