General Information of the Compound
| Compound ID |
CP0564520
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| Compound Name |
US8618299, 23
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
Cc1ccc(COc2ccn(-c3ccc4c5C6CCCCN6CCc5n(C)c4c3)c(=O)c2)cn1
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| InChI |
InChI=1S/C28H30N4O2/c1-19-6-7-20(17-29-19)18-34-22-10-14-32(27(33)16-22)21-8-9-23-26(15-21)30(2)24-11-13-31-12-4-3-5-25(31)28(23)24/h6-10,14-17,25H,3-5,11-13,18H2,1-2H3
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| InChIKey |
BYTLRGDIRQNCIL-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