General Information of the Compound
| Compound ID |
CP0499014
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| Compound Name |
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(4-methoxy-benzyl)-urea
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| Structure |
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| Formula |
C32H39N3O2
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| Molecular Weight |
497.683
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| Canonical SMILES |
COc1ccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C32H39N3O2/c1-3-21-35(32(36)33-25-26-14-16-30(37-2)17-15-26)29-18-22-34(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3,(H,33,36)
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| InChIKey |
JNJVLJAMVUUPMQ-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