General Information of the Compound
| Compound ID |
CP0417794
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| Compound Name |
US10047103, 244
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| Structure |
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| Formula |
C26H28N6O4S
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| Molecular Weight |
520.615
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| Canonical SMILES |
COc1cc(OCc2csc(NCCN3CCOCC3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H28N6O4S/c1-17-3-4-25-29-21(14-32(25)30-17)24-13-20-22(11-19(33-2)12-23(20)36-24)35-15-18-16-37-26(28-18)27-5-6-31-7-9-34-10-8-31/h3-4,11-14,16H,5-10,15H2,1-2H3,(H,27,28)
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| InChIKey |
SOERSOCKHNZSDI-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