General Information of the Compound
| Compound ID |
CP0501985
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| Compound Name |
2-(4-benzhydrylpiperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethanamine
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| Structure |
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| Formula |
C32H38N4O
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| Molecular Weight |
494.683
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| Canonical SMILES |
CCCc1nc(c(CNCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)o1)-c1ccccc1
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| InChI |
InChI=1S/C32H38N4O/c1-2-12-30-34-31(26-13-6-3-7-14-26)29(37-30)25-33-19-20-35-21-23-36(24-22-35)32(27-15-8-4-9-16-27)28-17-10-5-11-18-28/h3-11,13-18,32-33H,2,12,19-25H2,1H3
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| InChIKey |
NESWHGRJBVTWRA-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