General Information of the Compound
| Compound ID |
CP0858470
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| Compound Name |
SID131454189
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| Structure |
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| Formula |
C30H34N2O6S
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| Molecular Weight |
550.677
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| Canonical SMILES |
Cc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@H]32)c1
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| InChI |
InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28-,29+/m1/s1
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| InChIKey |
LOPBZILAZMWERO-HTCHUFIESA-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