General Information of the Compound
| Compound ID |
CP0420023
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| Compound Name |
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(3-methyl-benzyl)-urea
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| Structure |
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| Formula |
C32H39N3O
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| Molecular Weight |
481.684
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| Canonical SMILES |
Cc1cccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C32H39N3O/c1-3-20-35(32(36)33-25-27-12-10-11-26(2)24-27)30-17-21-34(22-18-30)23-19-31(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,24,30-31H,1,17-23,25H2,2H3,(H,33,36)
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| InChIKey |
ACQOHKAMPJYKEH-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