General Information of the Compound
| Compound ID |
CP0069683
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| Compound Name |
4-[cyclohexylmethyl-[(4-phenylphenyl)methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C27H29NO4S
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| Molecular Weight |
463.599
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCCC1)Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H29NO4S/c29-27(30)25-15-17-26(18-16-25)33(31,32)28(19-21-7-3-1-4-8-21)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h2,5-6,9-18,21H,1,3-4,7-8,19-20H2,(H,29,30)
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| InChIKey |
KZIXSLZWMBYEKN-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