General Information of the Compound
| Compound ID |
CP0341632
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| Compound Name |
US9546153, ex. 171
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| Structure |
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| Formula |
C21H25F2N5O2S
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| Molecular Weight |
449.527
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC(F)(F)C(C)(C)O
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| InChI |
InChI=1S/C21H25F2N5O2S/c1-12(2)27-16-8-18(28-13-5-6-15-17(7-13)31-11-26-15)24-9-14(16)19(29)25-10-21(22,23)20(3,4)30/h5-9,11-12,30H,10H2,1-4H3,(H,25,29)(H2,24,27,28)
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| InChIKey |
LEQZMPAGYNROEK-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