General Information of the Compound
| Compound ID |
CP0454474
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| Compound Name |
CHEMBL4097847
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| Formula |
C14H20N4S
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| Molecular Weight |
276.409
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sccc12
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| InChI |
InChI=1S/C14H20N4S/c1-18(2)11-5-3-10(4-6-11)17-13-12-7-8-19-14(12)16-9-15-13/h7-11H,3-6H2,1-2H3,(H,15,16,17)/t10-,11-
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| InChIKey |
NTJIMVUPPZXSIW-XYPYZODXSA-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