General Information of the Compound
| Compound ID |
CP0512686
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| Compound Name |
US9221831, 33
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| Structure |
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| Formula |
C32H47NO7
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| Molecular Weight |
557.728
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| Canonical SMILES |
COCCOCCOCCOC[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/C32H47NO7/c1-34-12-13-37-14-15-38-16-17-39-21-24-19-30-8-9-32(24,36-3)29-31(30)10-11-33(20-22-4-5-22)26(30)18-23-6-7-25(35-2)28(40-29)27(23)31/h6-7,22,24,26,29H,4-5,8-21H2,1-3H3/t24-,26-,29-,30-,31+,32-/m1/s1
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| InChIKey |
AJOMQFBUCVXNGB-BUVWRSTLSA-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