General Information of the Compound
| Compound ID |
CP0379038
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| Compound Name |
4-tert-butyl-N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
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| Structure |
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| Formula |
C29H26N2OS2
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| Molecular Weight |
482.674
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1
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| InChI |
InChI=1S/C29H26N2OS2/c1-29(2,3)22-13-11-20(12-14-22)27(32)30-23-15-16-25-26(17-23)34-28(31-25)33-18-21-9-6-8-19-7-4-5-10-24(19)21/h4-17H,18H2,1-3H3,(H,30,32)
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| InChIKey |
SSJAAASZEMFKQT-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