General Information of the Compound
| Compound ID |
CP0493283
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| Compound Name |
US9139585, 2
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| Structure |
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| Formula |
C28H34N2O6
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| Molecular Weight |
494.588
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C(C)(C)C1
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| InChI |
InChI=1S/C28H34N2O6/c1-16-18(5-7-20-22(16)13-35-26(20)33)24(31)11-29-9-10-30(28(3,4)15-29)12-25(32)19-6-8-21-23(17(19)2)14-36-27(21)34/h5-8,24-25,31-32H,9-15H2,1-4H3/t24-,25-/m0/s1
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| InChIKey |
UZKZFAHFZMHAKX-DQEYMECFSA-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