General Information of the Compound
| Compound ID |
CP0519639
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| Compound Name |
US9233953, 101
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| Structure |
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| Formula |
C23H27FN4O3S
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| Molecular Weight |
458.559
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| Canonical SMILES |
Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
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| InChI |
InChI=1S/C23H27FN4O3S/c24-20-5-3-17(4-6-20)21-15-27(23-25-13-19(14-26-23)16-1-2-16)9-10-28(21)22(29)18-7-11-32(30,31)12-8-18/h3-6,13-14,16,18,21H,1-2,7-12,15H2
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| InChIKey |
RERHJSNQDPRKIZ-UHFFFAOYSA-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