General Information of the Compound
| Compound ID |
CP0436275
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| Compound Name |
CHEMBL3622352
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| Formula |
C28H29N3O7S2
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| Molecular Weight |
583.688
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C28H29N3O7S2/c1-37-23-13-8-14-24-25(23)26(30-40(24,35)36)29-19-28(20-9-4-2-5-10-20)17-15-21(16-18-28)38-27(32)31-39(33,34)22-11-6-3-7-12-22/h2-14,21H,15-19H2,1H3,(H,29,30)(H,31,32)/t21-,28-
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| InChIKey |
XTFJGFFCGLLGRT-BFZJZIARSA-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