General Information of the Compound
| Compound ID |
CP0567041
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| Compound Name |
US9221831, 87
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| Structure |
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| Formula |
C37H47NO6
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| Molecular Weight |
601.784
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| Canonical SMILES |
CCOC(=O)CC[C@H]1[C@H](COCc2ccccc2)[C@@]2(CC[C@]11[C@H]3Cc4ccc(OC)c5O[C@@H]2[C@]1(CCN3CC1CC1)c45)OC
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| InChI |
InChI=1S/C37H47NO6/c1-4-43-31(39)15-13-27-28(23-42-22-25-8-6-5-7-9-25)37(41-3)17-16-35(27)30-20-26-12-14-29(40-2)33-32(26)36(35,34(37)44-33)18-19-38(30)21-24-10-11-24/h5-9,12,14,24,27-28,30,34H,4,10-11,13,15-23H2,1-3H3/t27-,28-,30+,34+,35+,36-,37+/m0/s1
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| InChIKey |
DQDRLDWIPKOPPT-JLWDJLIZSA-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