General Information of the Compound
| Compound ID |
CP0470332
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| Compound Name |
US8846929, 153
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C26H35N3O3/c1-2-32-26(31)24-25(30)29(23-13-9-8-12-22(23)27-24)21-16-19-14-15-20(17-21)28(19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-21H,2-7,10-11,14-17H2,1H3/t19-,20+,21+
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| InChIKey |
PHCGRHWCZTTYDG-AERCQKQUSA-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