General Information of the Compound
| Compound ID |
CP0472587
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| Compound Name |
US8618299, 33
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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(-c3ccc4c5CN6CCCCC6Cc5n(C)c4c3)c(=O)c2)cn1
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| InChI |
InChI=1S/C28H30N4O2/c1-19-6-7-20(16-29-19)18-34-23-10-12-32(28(33)15-23)22-8-9-24-25-17-31-11-4-3-5-21(31)13-27(25)30(2)26(24)14-22/h6-10,12,14-16,21H,3-5,11,13,17-18H2,1-2H3
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| InChIKey |
FYKBURBGYGNUQC-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