General Information of the Compound
| Compound ID |
CP0561459
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| Compound Name |
US9206198, 69
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| Structure |
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| Formula |
C26H30N2O6
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| Molecular Weight |
466.534
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC(C3CC3)N(C3=CC(=O)OC3)C2=O)CC1
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| InChI |
InChI=1S/C26H30N2O6/c1-15-18(4-5-19-20(15)14-34-24(19)31)22(29)12-27-8-6-26(7-9-27)11-21(16-2-3-16)28(25(26)32)17-10-23(30)33-13-17/h4-5,10,16,21-22,29H,2-3,6-9,11-14H2,1H3/t21?,22-/m0/s1
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| InChIKey |
MCULUIJXPSZEDC-KEKNWZKVSA-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