General Information of the Compound
| Compound ID |
CP0528662
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| Compound Name |
1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-benzyl-1-propylurea
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| Structure |
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| Formula |
C33H44N4O3S
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| Molecular Weight |
576.807
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| Canonical SMILES |
CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C33H44N4O3S/c1-3-22-37(33(38)34-26-28-13-7-4-8-14-28)31-20-24-36(25-21-31)23-19-30(29-15-9-5-10-16-29)27-35(2)41(39,40)32-17-11-6-12-18-32/h4-18,30-31H,3,19-27H2,1-2H3,(H,34,38)
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| InChIKey |
XRRKFLBCLJVILR-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