General Information of the Compound
| Compound ID |
CP0409650
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| Compound Name |
CHEMBL298168
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| Formula |
C25H28N4O5S
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| Molecular Weight |
496.589
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)Nc2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C25H28N4O5S/c30-25(28-22-9-5-7-20-6-1-2-8-21(20)22)26-16-18-12-14-19(15-13-18)17-27-35(33,34)24-11-4-3-10-23(24)29(31)32/h1-11,18-19,27H,12-17H2,(H2,26,28,30)/t18-,19-
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| InChIKey |
GGAMSTJRIBUGTQ-WGSAOQKQSA-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