General Information of the Compound
| Compound ID |
CP0546450
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| Compound Name |
15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide
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| Structure |
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| Formula |
C34H51N3OS
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| Molecular Weight |
549.869
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C34H51N3OS/c1-26(2)28-20-19-21-29(27(3)4)33(28)37-32(38)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)36-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,35,36)(H,37,38)
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| InChIKey |
TXUBODWSXDPXRI-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