General Information of the Compound
| Compound ID |
CP0417135
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| Compound Name |
US10077266, Example 3
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| Structure |
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| Formula |
C22H29F2N5O3S
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| Molecular Weight |
481.569
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29F2N5O3S/c1-14(2)25-21-22(27-18-8-11-29(33(3,30)31)13-19(18)26-21)28-9-6-16(7-10-28)32-20-5-4-15(23)12-17(20)24/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,25,26)
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| InChIKey |
ZQSQANVLMIZGFW-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