General Information of the Compound
| Compound ID |
CP0576472
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| Compound Name |
US9233953, 57
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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 |
Fc1ccc(cc1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(nc1)C1CC1
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| InChI |
InChI=1S/C24H28FN3O3S/c25-20-5-3-18(4-6-20)23-16-27(21-7-8-22(26-15-21)17-1-2-17)11-12-28(23)24(29)19-9-13-32(30,31)14-10-19/h3-8,15,17,19,23H,1-2,9-14,16H2
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| InChIKey |
XQYVKRFZBMTMEJ-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