General Information of the Compound
| Compound ID |
CP0947421
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| Compound Name |
SID103162505
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| Structure |
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| Formula |
C16H18N4OS
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| Molecular Weight |
314.414
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| Canonical SMILES |
COCCNc1nc(NCc2ccccc2)nc2ccsc12
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| InChI |
InChI=1S/C16H18N4OS/c1-21-9-8-17-15-14-13(7-10-22-14)19-16(20-15)18-11-12-5-3-2-4-6-12/h2-7,10H,8-9,11H2,1H3,(H2,17,18,19,20)
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| InChIKey |
UNTOHGPOSRPRHE-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