General Information of the Compound
| Compound ID |
CP0491046
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| Compound Name |
2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[2,4,6-tri(propan-2-yl)phenyl]acetamide
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| Structure |
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| Formula |
C30H43N5OS
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| Molecular Weight |
521.775
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4[nH]3)CC2)c(c1)C(C)C
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| InChI |
InChI=1S/C30H43N5OS/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)33-28(36)19-35-13-11-34(12-14-35)15-16-37-30-31-26-9-7-8-10-27(26)32-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,31,32)(H,33,36)
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| InChIKey |
NDJPCANSHGSRGD-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