General Information of the Compound
| Compound ID |
CP0555686
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| Compound Name |
US8853206, 76
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| Structure |
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| Formula |
C30H43N6O4+
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| Molecular Weight |
551.712
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| Canonical SMILES |
CCC(CC)Oc1nn2c(N)n[n+](CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)c2cc1C1CC1
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| InChI |
InChI=1S/C30H43N6O4/c1-7-21(8-2)40-28-22(19-9-10-19)17-26-35(33-29(31)36(26)32-28)18-25(37)20-15-23(30(3,4)5)27(38-6)24(16-20)34-11-13-39-14-12-34/h15-17,19,21H,7-14,18H2,1-6H3,(H2,31,33)/q+1
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| InChIKey |
RKLMFXMTNVULRF-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