General Information of the Compound
| Compound ID |
CP0522230
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| Compound Name |
1-(3-Acetyl-phenyl)-3-[6-(4-benzyl-piperidin-1-ylmethyl)-benzo[1,3]dioxol-5-yl]-urea
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| Structure |
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| Formula |
C29H31N3O4
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| Molecular Weight |
485.584
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)Nc2cc3OCOc3cc2CN2CCC(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C29H31N3O4/c1-20(33)23-8-5-9-25(15-23)30-29(34)31-26-17-28-27(35-19-36-28)16-24(26)18-32-12-10-22(11-13-32)14-21-6-3-2-4-7-21/h2-9,15-17,22H,10-14,18-19H2,1H3,(H2,30,31,34)
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| InChIKey |
MQFKNRIMMUANLC-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