General Information of the Compound
| Compound ID |
CP0133814
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| Compound Name |
US8680275, 57
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| Structure |
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| Formula |
C22H22N4OS
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| Molecular Weight |
390.512
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CN(CC12)C(=O)c1ccccc1-c1cccs1
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| InChI |
InChI=1S/C22H22N4OS/c1-14-10-15(2)24-22(23-14)26-12-16-11-25(13-19(16)26)21(27)18-7-4-3-6-17(18)20-8-5-9-28-20/h3-10,16,19H,11-13H2,1-2H3
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| InChIKey |
GBJJYXHANNSQKY-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