General Information of the Compound
| Compound ID |
CP0517847
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| Compound Name |
US9221831, 62
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| Structure |
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| Formula |
C34H44N2O8S2
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| Molecular Weight |
672.866
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)N(S(C)(=O)=O)S(C)(=O)=O)OC
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| InChI |
InChI=1S/C34H44N2O8S2/c1-41-27-12-9-24-17-28-32-13-14-34(42-2,31-33(32,29(24)30(27)44-31)15-16-35(28)19-22-5-6-22)25(18-32)21-43-20-23-7-10-26(11-8-23)36(45(3,37)38)46(4,39)40/h7-12,22,25,28,31H,5-6,13-21H2,1-4H3/t25-,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
FHUJYYXUEXGFOF-SVMMDPMYSA-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