General Information of the Compound
| Compound ID |
CP0120800
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| Compound Name |
US8618286, 25
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| Structure |
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| Formula |
C19H24N4S2
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| Molecular Weight |
372.563
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| Canonical SMILES |
NC(=Nc1ccc2SCCN(CCN3CCCC3)c2c1)c1cccs1
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| InChI |
InChI=1S/C19H24N4S2/c20-19(18-4-3-12-24-18)21-15-5-6-17-16(14-15)23(11-13-25-17)10-9-22-7-1-2-8-22/h3-6,12,14H,1-2,7-11,13H2,(H2,20,21)
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| InChIKey |
WMMWYSTWKYLRNH-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