General Information of the Compound
| Compound ID |
CP0567354
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| Compound Name |
US9212153, 458,Ex. 392
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
CN(C)C(=O)C1=CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C26H27N5O2/c1-30(2)23(32)18-9-11-25(12-10-18)15-21-8-7-20(19-6-4-5-17(13-19)16-27)14-22(21)26(25)29-24(28)31(3)33-26/h4-9,13-14H,10-12,15H2,1-3H3,(H2,28,29)
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| InChIKey |
IJSUOCAFBJGIAV-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