General Information of the Compound
| Compound ID |
CP0499660
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| Compound Name |
US9428500, 34
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| Structure |
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| Formula |
C28H26N6O2
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| Molecular Weight |
478.556
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
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| InChI |
InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)
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| InChIKey |
VWMRYWSIYWPFBY-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