General Information of the Compound
| Compound ID |
CP0478288
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| Compound Name |
US9212187, 48
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
Cn1c2ccccc2cc(OCCCN(CCc2cccnc2)Cc2ccncc2)c1=O
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| InChI |
InChI=1S/C26H28N4O2/c1-29-24-8-3-2-7-23(24)18-25(26(29)31)32-17-5-15-30(20-22-9-13-27-14-10-22)16-11-21-6-4-12-28-19-21/h2-4,6-10,12-14,18-19H,5,11,15-17,20H2,1H3
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| InChIKey |
CGXZBGYVVFVKAH-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