General Information of the Compound
| Compound ID |
CP0558196
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| Compound Name |
2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-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 |
C29H41N5O2S
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| Molecular Weight |
523.747
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ncccc4o3)CC2)c(c1)C(C)C
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| InChI |
InChI=1S/C29H41N5O2S/c1-19(2)22-16-23(20(3)4)27(24(17-22)21(5)6)31-26(35)18-34-12-10-33(11-13-34)14-15-37-29-32-28-25(36-29)8-7-9-30-28/h7-9,16-17,19-21H,10-15,18H2,1-6H3,(H,31,35)
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| InChIKey |
ZJUPXEUAZWNTDZ-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