General Information of the Compound
| Compound ID |
CP0491047
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| Compound Name |
2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
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| Structure |
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| Formula |
C28H38N4O2S
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| Molecular Weight |
494.705
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCCSc2nc3ccccc3o2)CC1
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| InChI |
InChI=1S/C28H38N4O2S/c1-20(2)22-9-7-10-23(21(3)4)27(22)30-26(33)19-32-16-14-31(15-17-32)13-8-18-35-28-29-24-11-5-6-12-25(24)34-28/h5-7,9-12,20-21H,8,13-19H2,1-4H3,(H,30,33)
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| InChIKey |
JQMUFPASLVRWSI-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