General Information of the Compound
| Compound ID |
CP0522559
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| Compound Name |
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-phenyl-urea
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
C=CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C30H35N3O/c1-2-21-33(30(34)31-27-16-10-5-11-17-27)28-18-22-32(23-19-28)24-20-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h2-17,28-29H,1,18-24H2,(H,31,34)
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| InChIKey |
GQOOTJLFAHNWHQ-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