General Information of the Compound
| Compound ID |
CP0966892
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| Compound Name |
SID131456926
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| Structure |
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| Formula |
C29H31ClN2O6S
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| Molecular Weight |
571.095
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(Cl)c2)O1)Nc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H31ClN2O6S/c30-22-7-4-8-26(15-22)39(35,36)32-17-24(33)18-37-19-28-27(32)14-13-25(38-28)16-29(34)31-23-11-9-21(10-12-23)20-5-2-1-3-6-20/h1-12,15,24-25,27-28,33H,13-14,16-19H2,(H,31,34)/t24-,25-,27+,28-/m0/s1
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| InChIKey |
VYIYVWARVPZZEM-KWNVVKLJSA-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