General Information of the Compound
| Compound ID |
CP0572319
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| Compound Name |
US9221831, 59
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| Structure |
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| Formula |
C33H39NO6
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| Molecular Weight |
545.676
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(O)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C33H39NO6/c1-37-33-12-11-31(16-24(33)19-38-18-22-5-3-2-4-6-22)26-15-23-9-10-25(39-20-27(35)36)29-28(23)32(31,30(33)40-29)13-14-34(26)17-21-7-8-21/h2-6,9-10,21,24,26,30H,7-8,11-20H2,1H3,(H,35,36)/t24-,26-,30-,31-,32+,33-/m1/s1
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| InChIKey |
HAAGAXZZVIBWSV-SMHPFREUSA-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