General Information of the Compound
| Compound ID |
CP0414773
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| Compound Name |
US10047103, 261
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| Structure |
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| Formula |
C28H22N6O3S
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| Molecular Weight |
522.59
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3ccc4[nH]ccc4c3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C28H22N6O3S/c1-16-3-6-27-32-23(13-34(27)33-16)26-12-21-24(10-20(35-2)11-25(21)37-26)36-14-19-15-38-28(31-19)30-18-4-5-22-17(9-18)7-8-29-22/h3-13,15,29H,14H2,1-2H3,(H,30,31)
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| InChIKey |
CSISELVUJFQQMR-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