General Information of the Compound
Compound ID |
CP0251838
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Compound Name |
US9340555, 15
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Structure |
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Formula |
C31H34FN5O4S
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Molecular Weight |
591.709
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Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN3CCCC(CO)C3)cc2)c1
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InChI |
InChI=1S/C31H34FN5O4S/c1-20-5-10-24(32)25(16-20)36-31(40)35-22-6-8-23(9-7-22)41-27-11-13-33-26-17-28(42-29(26)27)30(39)34-12-3-15-37-14-2-4-21(18-37)19-38/h5-11,13,16-17,21,38H,2-4,12,14-15,18-19H2,1H3,(H,34,39)(H2,35,36,40)
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InChIKey |
MPCFFXIIMLGUSM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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