General Information of the Compound
| Compound ID |
CP0546402
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| Compound Name |
1-benzyl-1-(4-chlorophenyl)sulfonyl-3-[4-(4-phenylbutoxy)phenyl]urea
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| Formula |
C30H29ClN2O4S
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| Molecular Weight |
549.092
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H29ClN2O4S/c31-26-14-20-29(21-15-26)38(35,36)33(23-25-12-5-2-6-13-25)30(34)32-27-16-18-28(19-17-27)37-22-8-7-11-24-9-3-1-4-10-24/h1-6,9-10,12-21H,7-8,11,22-23H2,(H,32,34)
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| InChIKey |
AVJDXAXTOWGORX-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