General Information of the Compound
| Compound ID |
CP0370654
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| Compound Name |
3-(4-methoxyphenyl)-1-(4-((6-methylbenzo[d]oxazol-2-yl)methyl)piperazin-1-yl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
COc1ccc(cc1)C(CC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1)c1ccccc1
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| InChI |
InChI=1S/C29H31N3O3/c1-21-8-13-26-27(18-21)35-28(30-26)20-31-14-16-32(17-15-31)29(33)19-25(22-6-4-3-5-7-22)23-9-11-24(34-2)12-10-23/h3-13,18,25H,14-17,19-20H2,1-2H3
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| InChIKey |
STLXCCZDCQSBKO-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