General Information of the Compound
| Compound ID |
CP0531439
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| Compound Name |
US9108947, 4
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| Structure |
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| Formula |
C27H32N2O6
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| Molecular Weight |
480.561
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC1CNC(CO)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C27H32N2O6/c1-15-18(5-7-20-22(15)13-34-26(20)32)24(12-30)28-10-17-4-3-9-29(17)11-25(31)19-6-8-21-23(16(19)2)14-35-27(21)33/h5-8,17,24-25,28,30-31H,3-4,9-14H2,1-2H3/t17?,24?,25-/m0/s1
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| InChIKey |
KUVBLHGXBKKWKR-RIIRKCAYSA-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