General Information of the Compound
| Compound ID |
CP0411976
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| Compound Name |
US9233953, 58
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| Structure |
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| Formula |
C24H28FN3O3S
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| Molecular Weight |
457.571
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| Canonical SMILES |
Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(nc1)C1CC1
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| InChI |
InChI=1S/C24H28FN3O3S/c25-20-3-1-2-19(14-20)23-16-27(21-6-7-22(26-15-21)17-4-5-17)10-11-28(23)24(29)18-8-12-32(30,31)13-9-18/h1-3,6-7,14-15,17-18,23H,4-5,8-13,16H2
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| InChIKey |
BJWFIIDTLXIZBM-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