General Information of the Compound
| Compound ID |
CP0503763
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| Compound Name |
US8637501, 45
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
Cc1ccc(COc2ccn(-c3ccc4c5CCNCCc5n(C)c4c3)c(=O)c2)cn1
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| InChI |
InChI=1S/C25H26N4O2/c1-17-3-4-18(15-27-17)16-31-20-9-12-29(25(30)14-20)19-5-6-21-22-7-10-26-11-8-23(22)28(2)24(21)13-19/h3-6,9,12-15,26H,7-8,10-11,16H2,1-2H3
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| InChIKey |
WDRUDZXMLXBSOE-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