General Information of the Compound
| Compound ID |
CP0501027
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| Compound Name |
US10047103, 226
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| Structure |
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| Formula |
C29H24N4O5S
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| Molecular Weight |
540.601
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(COC(C)=O)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C29H24N4O5S/c1-17-4-9-28-31-24(13-33(28)32-17)27-12-23-25(10-22(35-3)11-26(23)38-27)37-15-21-16-39-29(30-21)20-7-5-19(6-8-20)14-36-18(2)34/h4-13,16H,14-15H2,1-3H3
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| InChIKey |
IFJBKEYYHWJIDF-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