General Information of the Compound
| Compound ID |
CP0434616
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| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C26H35N5O2S
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| Molecular Weight |
481.666
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1
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| InChI |
InChI=1S/C26H35N5O2S/c1-18(2)20-7-5-8-21(19(3)4)24(20)28-23(32)17-31-13-11-30(12-14-31)15-16-34-26-29-25-22(33-26)9-6-10-27-25/h5-10,18-19H,11-17H2,1-4H3,(H,28,32)
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| InChIKey |
XWUIFQGQAMIMQR-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