General Information of the Compound
| Compound ID |
CP0249042
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| Compound Name |
1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-benzyl-3-methyl-1-propylurea
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| Structure |
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| Formula |
C34H46N4O3S
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| Molecular Weight |
590.834
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| Canonical SMILES |
CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35(2)27-29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)28-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,31-32H,4,20-28H2,1-3H3
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| InChIKey |
KAPOEWFIQGCQKJ-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