General Information of the Compound
| Compound ID |
CP0403444
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| Compound Name |
US10047103, 70
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| Structure |
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| Formula |
C26H21N5O5S2
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| Molecular Weight |
547.618
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(N)=O)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H21N5O5S2/c1-13-19(28-24(37-13)15-6-4-14(5-7-15)23(27)32)12-35-20-8-16(33-2)9-21-17(20)10-22(36-21)18-11-31-25(29-18)38-26(30-31)34-3/h4-11H,12H2,1-3H3,(H2,27,32)
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| InChIKey |
XLPVCGBMCVPXMU-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