General Information of the Compound
| Compound ID |
CP0561021
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| Compound Name |
US9221831, 50
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| Structure |
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| Formula |
C34H42N2O6
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| Molecular Weight |
574.718
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NCC(O)=O)c1)OC
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| InChI |
InChI=1S/C34H42N2O6/c1-39-26-9-8-23-15-27-32-10-11-34(40-2,24(16-32)20-41-19-22-4-3-5-25(14-22)35-17-28(37)38)31-33(32,29(23)30(26)42-31)12-13-36(27)18-21-6-7-21/h3-5,8-9,14,21,24,27,31,35H,6-7,10-13,15-20H2,1-2H3,(H,37,38)/t24-,27-,31-,32-,33+,34-/m1/s1
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| InChIKey |
GYODLKSSDRIOEM-FBPOBTEMSA-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