General Information of the Compound
| Compound ID |
CP0215911
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| Compound Name |
2-[(2-{[3-(diethylamino)propyl]sulfanyl}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C24H32N2O4S2
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| Molecular Weight |
476.664
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| Canonical SMILES |
CCN(CC)CCCSc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C24H32N2O4S2/c1-3-26(4-2)16-9-17-31-21-12-7-8-13-22(21)32(29,30)25-20-15-14-18-10-5-6-11-19(18)23(20)24(27)28/h7-8,12-15,25H,3-6,9-11,16-17H2,1-2H3,(H,27,28)
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| InChIKey |
YKHYJZDNBSYSKS-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