General Information of the Compound
| Compound ID |
CP0553866
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| Compound Name |
CHEMBL4284841
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| Formula |
C27H20N6O5S
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| Molecular Weight |
540.561
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C#N)C2=NC3=Nc4ccc(cc4C3=NC2C(O)=C1C#N)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C27H20N6O5S/c1-37-16-4-2-15(3-5-16)22-19(13-28)23-25(26(34)20(22)14-29)31-24-18-12-17(6-7-21(18)30-27(24)32-23)39(35,36)33-8-10-38-11-9-33/h2-7,12,25,34H,8-11H2,1H3
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| InChIKey |
ADQDJQPRNJWPEK-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