General Information of the Compound
| Compound ID |
CP0561393
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| Compound Name |
US8901315, 125
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| Structure |
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| Formula |
C22H27FN4O2S
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| Molecular Weight |
430.549
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| Canonical SMILES |
CN(CCO)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
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| InChI |
InChI=1S/C22H27FN4O2S/c1-14-17-13-20(30-22(17)27(25-14)16-6-4-3-5-7-16)21(29)24-15-8-9-19(18(23)12-15)26(2)10-11-28/h8-9,12-13,16,28H,3-7,10-11H2,1-2H3,(H,24,29)
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| InChIKey |
JHNBRNLKWBDXRW-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