General Information of the Compound
| Compound ID |
CP0561600
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| Compound Name |
US9266876, 63
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| Structure |
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| Formula |
C25H23FN6OS
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| Molecular Weight |
474.565
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| Canonical SMILES |
Cc1cn(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)c2ccc(F)cc12
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| InChI |
InChI=1S/C25H23FN6OS/c1-16-13-32(21-7-6-17(26)12-18(16)21)14-22(33)30-8-10-31(11-9-30)25-23(27-15-34-25)24-28-19-4-2-3-5-20(19)29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29)
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| InChIKey |
GGEUVKOZSURLRV-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