General Information of the Compound
| Compound ID |
CP0548135
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| Compound Name |
US10047103, 264
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| Structure |
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| Formula |
C27H24N6O3S
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| Molecular Weight |
512.595
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| Canonical SMILES |
COc1cc(OCc2csc(Nc3cc(C)cc(C)n3)n2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C27H24N6O3S/c1-15-7-17(3)28-25(8-15)31-27-29-18(14-37-27)13-35-22-9-19(34-4)10-23-20(22)11-24(36-23)21-12-33-26(30-21)6-5-16(2)32-33/h5-12,14H,13H2,1-4H3,(H,28,29,31)
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| InChIKey |
HDBNIJBFFDLWJK-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