General Information of the Compound
| Compound ID |
CP0567030
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| Compound Name |
US9221831, 35
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| Structure |
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| Formula |
C38H51NO7
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| Molecular Weight |
633.826
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| Canonical SMILES |
COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC
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| InChI |
InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
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| InChIKey |
CMUPPNWEXDPPDS-OWDVXBOWSA-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