General Information of the Compound
| Compound ID |
CP0484016
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| Compound Name |
US9221831, 34
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| Structure |
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| Formula |
C36H55NO9
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| Molecular Weight |
645.834
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| Canonical SMILES |
COCCOCCOCCOCCOCCOC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
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| InChI |
InChI=1S/C36H55NO9/c1-38-12-13-41-14-15-42-16-17-43-18-19-44-20-21-45-25-28-23-34-8-9-36(28,40-3)33-35(34)10-11-37(24-26-4-5-26)30(34)22-27-6-7-29(39-2)32(46-33)31(27)35/h6-7,26,28,30,33H,4-5,8-25H2,1-3H3/t28-,30-,33-,34-,35+,36-/m1/s1
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| InChIKey |
AOUNVUHADLIPSM-QTDSEMIKSA-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