General Information of the Compound
| Compound ID |
CP0550200
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| Compound Name |
US8901315, 58
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc2N(CCc2c1)C(=O)C1CC1
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| InChI |
InChI=1S/C25H28N4O2S/c1-15-20-14-22(32-25(20)29(27-15)19-5-3-2-4-6-19)23(30)26-18-9-10-21-17(13-18)11-12-28(21)24(31)16-7-8-16/h9-10,13-14,16,19H,2-8,11-12H2,1H3,(H,26,30)
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| InChIKey |
UKFKRBFKAVKCMA-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