General Information of the Compound
| Compound ID |
CP0496373
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| Compound Name |
1-[6-(4-Benzyl-piperidin-1-ylmethyl)-benzo[1,3]dioxol-5-yl]-3-(3-cyano-phenyl)-urea
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)Nc1cc2OCOc2cc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H28N4O3/c29-17-22-7-4-8-24(14-22)30-28(33)31-25-16-27-26(34-19-35-27)15-23(25)18-32-11-9-21(10-12-32)13-20-5-2-1-3-6-20/h1-8,14-16,21H,9-13,18-19H2,(H2,30,31,33)
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| InChIKey |
SUPPNJZTOAKITB-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