General Information of the Compound
| Compound ID |
CP0575455
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| Compound Name |
2-[6-[2,6-di(propan-2-yl)anilino]-6-oxohexyl]sulfanyl-1,3-benzoxazole-6-carboxylic acid
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| Structure |
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| Formula |
C26H32N2O4S
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| Molecular Weight |
468.619
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(cc2o1)C(O)=O
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| InChI |
InChI=1S/C26H32N2O4S/c1-16(2)19-9-8-10-20(17(3)4)24(19)28-23(29)11-6-5-7-14-33-26-27-21-13-12-18(25(30)31)15-22(21)32-26/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,28,29)(H,30,31)
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| InChIKey |
QDQNVXRJROVWNY-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