General Information of the Compound
| Compound ID |
CP0574047
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| Compound Name |
US9862730, Example 329
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| Structure |
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| Formula |
C26H21N5O5S
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| Molecular Weight |
515.551
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cncnc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H21N5O5S/c1-32-19-7-22(35-13-16-4-3-5-18(6-16)34-14-17-10-27-15-28-11-17)20-9-24(36-23(20)8-19)21-12-31-25(29-21)37-26(30-31)33-2/h3-12,15H,13-14H2,1-2H3
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| InChIKey |
BYKFSXVFGQWUPM-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