General Information of the Compound
| Compound ID |
CP0517848
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| Compound Name |
US9221831, 82
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| Structure |
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| Formula |
C31H44N2O5
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| Molecular Weight |
524.702
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@@H](N)CC(C)C)OC
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| InChI |
InChI=1S/C31H44N2O5/c1-18(2)13-22(32)27(34)37-17-21-15-29-9-10-31(21,36-4)28-30(29)11-12-33(16-19-5-6-19)24(29)14-20-7-8-23(35-3)26(38-28)25(20)30/h7-8,18-19,21-22,24,28H,5-6,9-17,32H2,1-4H3/t21-,22+,24-,28-,29-,30+,31-/m1/s1
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| InChIKey |
RMOUVFCRISRYIQ-UAJHMDHNSA-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