General Information of the Compound
| Compound ID |
CP0459991
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| Compound Name |
US10047103, 183
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| Structure |
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| Formula |
C28H22FN5O4S2
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| Molecular Weight |
575.647
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCCC3)cc(F)cc2o1
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| InChI |
InChI=1S/C28H22FN5O4S2/c1-36-28-32-34-13-21(31-27(34)40-28)24-12-20-22(10-18(29)11-23(20)38-24)37-14-19-15-39-25(30-19)16-4-6-17(7-5-16)26(35)33-8-2-3-9-33/h4-7,10-13,15H,2-3,8-9,14H2,1H3
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| InChIKey |
ZUBUSZACYNCGPT-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