General Information of the Compound
| Compound ID |
CP0555445
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| Compound Name |
US10047103, 269
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| Structure |
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| Formula |
C29H28N6O3S
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| Molecular Weight |
540.649
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| Canonical SMILES |
COc1cc(OCc2csc(NCc3cccc(c3)N(C)C)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C29H28N6O3S/c1-18-8-9-28-32-24(15-35(28)33-18)27-13-23-25(11-22(36-4)12-26(23)38-27)37-16-20-17-39-29(31-20)30-14-19-6-5-7-21(10-19)34(2)3/h5-13,15,17H,14,16H2,1-4H3,(H,30,31)
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| InChIKey |
JSFVEYLNUHZDHY-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