General Information of the Compound
| Compound ID |
CP0474442
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| Compound Name |
US10047103, 255
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| Structure |
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| Formula |
C23H23N5O3S
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| Molecular Weight |
449.536
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| Canonical SMILES |
COc1cc(OCc2csc(NC(C)C)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C23H23N5O3S/c1-13(2)24-23-25-15(12-32-23)11-30-19-7-16(29-4)8-20-17(19)9-21(31-20)18-10-28-22(26-18)6-5-14(3)27-28/h5-10,12-13H,11H2,1-4H3,(H,24,25)
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| InChIKey |
WOYVVYOTKHEEMO-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