General Information of the Compound
| Compound ID |
CP0413527
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| Compound Name |
US9314468, Table 7, Compound 73
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| Structure |
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| Formula |
C26H31N5
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| Molecular Weight |
413.569
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| Canonical SMILES |
CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H31N5/c1-30(24-12-6-8-19-9-7-15-29-25(19)24)18-22-26-21(13-16-28-22)20-10-2-3-11-23(20)31(26)17-5-4-14-27/h2-3,7,9-11,13,15-16,24H,4-6,8,12,14,17-18,27H2,1H3/t24-/m0/s1
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| InChIKey |
VBDFJRFDMOITRW-DEOSSOPVSA-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