General Information of the Compound
| Compound ID |
CP0563040
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| Compound Name |
US10266491, Example 37
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
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| InChI |
InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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| InChIKey |
JDYUDZBXVQYGPJ-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