General Information of the Compound
| Compound ID |
CP0235016
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| Compound Name |
US8680275, 50
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| Structure |
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| Formula |
C26H22N4OS
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| Molecular Weight |
438.556
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| Canonical SMILES |
O=C(N1CC2CN(C2C1)c1nccc(n1)-c1ccccc1)c1ccccc1-c1cccs1
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| InChI |
InChI=1S/C26H22N4OS/c31-25(21-10-5-4-9-20(21)24-11-6-14-32-24)29-15-19-16-30(23(19)17-29)26-27-13-12-22(28-26)18-7-2-1-3-8-18/h1-14,19,23H,15-17H2
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| InChIKey |
JPUWQDQOTJPGPA-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