General Information of the Compound
| Compound ID |
CP0397100
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| Compound Name |
N-[[3-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C28H29N3O4
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| Molecular Weight |
471.557
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| Canonical SMILES |
CC(=O)N1CCN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CC1
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| InChI |
InChI=1S/C28H29N3O4/c1-20(32)31-12-10-30(11-13-31)18-22-5-3-7-24(15-22)23-6-2-4-21(14-23)17-29-28(33)25-8-9-26-27(16-25)35-19-34-26/h2-9,14-16H,10-13,17-19H2,1H3,(H,29,33)
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| InChIKey |
WSDGMDUTHWKDMT-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