General Information of the Compound
| Compound ID |
CP0018952
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| Compound Name |
CHEMBL4225469
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1
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| InChI |
InChI=1S/C24H26N4O4S/c1-30-18-4-5-20-19(10-18)15(8-9-25-20)2-7-23-31-12-17(13-32-23)26-11-16-3-6-21-24(27-16)28-22(29)14-33-21/h3-6,8-10,17,23,26H,2,7,11-14H2,1H3,(H,27,28,29)/t17-,23-
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| InChIKey |
GIWUNNJISQFQLW-QBNMFFNISA-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