General Information of the Compound
| Compound ID |
CP0504250
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| Compound Name |
3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)propan-1-amine
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| Structure |
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| Formula |
C28H38N4O
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| Molecular Weight |
446.639
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| Canonical SMILES |
CCCc1nc(c(CNCCCN2CCN(CC2)c2cccc(C)c2C)o1)-c1ccccc1
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| InChI |
InChI=1S/C28H38N4O/c1-4-10-27-30-28(24-12-6-5-7-13-24)26(33-27)21-29-15-9-16-31-17-19-32(20-18-31)25-14-8-11-22(2)23(25)3/h5-8,11-14,29H,4,9-10,15-21H2,1-3H3
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| InChIKey |
WEMHSCWXHCJWNO-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