General Information of the Compound
| Compound ID |
CP0224663
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| Compound Name |
US9018211, 12
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| Structure |
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| Formula |
C26H30N2O5
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| Molecular Weight |
450.535
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCN1CCN(CC(O)c2ccc3C(=O)OCc3c2C)CC1
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| InChI |
InChI=1S/C26H30N2O5/c1-16-18(3-4-20-22(16)14-32-25(20)30)7-8-27-9-11-28(12-10-27)13-24(29)19-5-6-21-23(17(19)2)15-33-26(21)31/h3-6,24,29H,7-15H2,1-2H3
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| InChIKey |
FRTFPWJYBDIGEF-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