General Information of the Compound
| Compound ID |
CP0453024
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| Compound Name |
Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-amine
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| Structure |
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| Formula |
C31H36N6OS
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| Molecular Weight |
540.737
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1nc(SCCCCCNc2nc3ccccc3o2)[nH]c1-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C31H36N6OS/c1-36(2)24-16-12-22(13-17-24)28-29(23-14-18-25(19-15-23)37(3)4)35-31(34-28)39-21-9-5-8-20-32-30-33-26-10-6-7-11-27(26)38-30/h6-7,10-19H,5,8-9,20-21H2,1-4H3,(H,32,33)(H,34,35)
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| InChIKey |
MYIILNASXHQBLI-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