General Information of the Compound
| Compound ID |
CP0250177
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| Compound Name |
US9266869, 2
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(C)=O
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| InChI |
InChI=1S/C22H19N3O4S/c1-15-9-10-29-20(15)22(27)24-19-6-4-5-16(12-19)7-8-17-11-18(14-23-13-17)21(26)25-30(2,3)28/h4-6,9-14H,1-3H3,(H,24,27)
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| InChIKey |
HGJSLQXBCKJGHL-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