General Information of the Compound
| Compound ID |
CP0564151
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| Compound Name |
US10047103, 293
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| Structure |
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| Formula |
C27H23N5O6S2
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| Molecular Weight |
577.644
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)NCCO)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H23N5O6S2/c1-35-18-9-21(19-11-23(38-22(19)10-18)20-12-32-26(30-20)40-27(31-32)36-2)37-13-17-14-39-25(29-17)16-5-3-15(4-6-16)24(34)28-7-8-33/h3-6,9-12,14,33H,7-8,13H2,1-2H3,(H,28,34)
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| InChIKey |
OTSZPNUOYOKQRW-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