General Information of the Compound
| Compound ID |
CP0391640
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| Compound Name |
US9862730, Example 341
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| Structure |
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| Formula |
C26H23FN4O5S
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| Molecular Weight |
522.558
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OC[C@H]3CCCN3C(=O)c3ccc(F)cc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H23FN4O5S/c1-33-18-10-21(35-14-17-4-3-9-30(17)24(32)15-5-7-16(27)8-6-15)19-12-23(36-22(19)11-18)20-13-31-25(28-20)37-26(29-31)34-2/h5-8,10-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1
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| InChIKey |
FBXZZGNLWOKPHW-QGZVFWFLSA-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