General Information of the Compound
| Compound ID |
CP0550203
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| Compound Name |
US8901315, 99
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| Structure |
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| Formula |
C19H22N4OS
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| Molecular Weight |
354.479
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(N)cc1
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| InChI |
InChI=1S/C19H22N4OS/c1-12-16-11-17(18(24)21-14-9-7-13(20)8-10-14)25-19(16)23(22-12)15-5-3-2-4-6-15/h7-11,15H,2-6,20H2,1H3,(H,21,24)
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| InChIKey |
UUTFDZADCKQEPF-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