General Information of the Compound
| Compound ID |
CP0539807
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| Compound Name |
US9221831, 39
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| Structure |
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| Formula |
C35H43NO7
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| Molecular Weight |
589.729
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| Canonical SMILES |
COC(=O)COc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(CC3CC3)CC[C@@]426)ccc5OC)cc1
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| InChI |
InChI=1S/C35H43NO7/c1-38-27-11-8-24-16-28-33-12-13-35(40-3,32-34(33,30(24)31(27)43-32)14-15-36(28)18-22-4-5-22)25(17-33)20-41-19-23-6-9-26(10-7-23)42-21-29(37)39-2/h6-11,22,25,28,32H,4-5,12-21H2,1-3H3/t25-,28-,32-,33-,34+,35-/m1/s1
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| InChIKey |
IEWGSARMLOQVFC-ASIKSVMXSA-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