General Information of the Compound
| Compound ID |
CP0518209
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| Compound Name |
US9108947, 17A
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| Structure |
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| Formula |
C28H32N2O6
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| Molecular Weight |
492.572
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1C[C@H]2C[C@@H]1N(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2
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| InChI |
InChI=1S/C28H32N2O6/c1-14-17(3-5-19-21(14)12-35-27(19)33)25(31)9-29-23-7-16-8-24(23)30(10-16)11-26(32)18-4-6-20-22(15(18)2)13-36-28(20)34/h3-6,16,23-26,29,31-32H,7-13H2,1-2H3/t16-,23?,24-,25-,26-/m0/s1
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| InChIKey |
DWPAQZUEQBTJJR-HMIDCMTRSA-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