General Information of the Compound
| Compound ID |
CP0564102
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| Compound Name |
US9266876, 111
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| Structure |
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| Formula |
C23H22FN5O2S
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| Molecular Weight |
451.527
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)c(F)c1
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| InChI |
InChI=1S/C23H22FN5O2S/c1-31-16-7-6-15(17(24)13-16)12-20(30)28-8-10-29(11-9-28)23-21(25-14-32-23)22-26-18-4-2-3-5-19(18)27-22/h2-7,13-14H,8-12H2,1H3,(H,26,27)
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| InChIKey |
KTHHAXJKGITINW-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