General Information of the Compound
| Compound ID |
CP0544371
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| Compound Name |
US9266883, 266
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| Structure |
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| Formula |
C27H33N7O4
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| Molecular Weight |
519.606
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| Canonical SMILES |
COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N
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| InChI |
InChI=1S/C27H33N7O4/c1-37-10-6-29-23-12-25(30-14-20(23)13-28)32-27(36)34-7-2-3-19-11-22(24(15-35)31-26(19)34)18-4-8-33(9-5-18)21-16-38-17-21/h11-12,14-15,18,21H,2-10,16-17H2,1H3,(H2,29,30,32,36)
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| InChIKey |
CFHKNWFGGBERAE-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