General Information of the Compound
| Compound ID |
CP0559383
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| Compound Name |
US10266491, Example 64
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| Structure |
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| Formula |
C27H27N3O3
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| Molecular Weight |
441.531
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| Canonical SMILES |
C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
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| InChI |
InChI=1S/C27H27N3O3/c1-5-7-23(31)29-21-9-6-8-17(15(21)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-22(19)30-25/h5-14,30,33H,1-4H3,(H2,28,32)(H,29,31)/b7-5+
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| InChIKey |
ZQMURFSYVNUKJH-FNORWQNLSA-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