General Information of the Compound
| Compound ID |
CP0035870
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| Compound Name |
N-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-N-methyl-2-phenoxyacetamide
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| Structure |
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| Formula |
C29H35N3O2
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| Molecular Weight |
457.618
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)COc2ccccc2)C[C@@H](C)N1
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| InChI |
InChI=1S/C29H35N3O2/c1-22-17-32(18-23(2)30-22)19-24-13-15-25(16-14-24)28-12-8-7-9-26(28)20-31(3)29(33)21-34-27-10-5-4-6-11-27/h4-16,22-23,30H,17-21H2,1-3H3/t22-,23+
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| InChIKey |
XLNMHVBRWVMJDC-ZRZAMGCNSA-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