General Information of the Compound
| Compound ID |
CP0472016
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| Compound Name |
US10047103, 165
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| Structure |
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| Formula |
C28H23ClN4O5S2
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| Molecular Weight |
595.102
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOC3)c3cccc(Cl)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H23ClN4O5S2/c1-34-19-9-22(20-11-24(38-23(20)10-19)21-12-33-26(31-21)40-27(32-33)35-2)37-13-18-14-39-25(30-18)28(6-7-36-15-28)16-4-3-5-17(29)8-16/h3-5,8-12,14H,6-7,13,15H2,1-2H3
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| InChIKey |
ADYNYJCSXKIJKJ-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