General Information of the Compound
| Compound ID |
CP0529949
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| Compound Name |
US9221831, 7
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| Structure |
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| Formula |
C32H36N2O3S2
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| Molecular Weight |
560.785
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nc2ccccc2s1)OC
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| InChI |
InChI=1S/C32H36N2O3S2/c1-35-23-10-9-20-15-25-30-11-12-32(36-2,21(16-30)18-38-29-33-22-5-3-4-6-24(22)39-29)28-31(30,26(20)27(23)37-28)13-14-34(25)17-19-7-8-19/h3-6,9-10,19,21,25,28H,7-8,11-18H2,1-2H3/t21-,25-,28-,30-,31+,32-/m1/s1
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| InChIKey |
FSKVJNNDFYMKCF-QWEWFXQASA-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