General Information of the Compound
| Compound ID |
CP0465850
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| Compound Name |
CHEMBL4096351
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| Formula |
C15H22N4S
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| Molecular Weight |
290.436
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(C)cc12
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| InChI |
InChI=1S/C15H22N4S/c1-10-8-13-14(16-9-17-15(13)20-10)18-11-4-6-12(7-5-11)19(2)3/h8-9,11-12H,4-7H2,1-3H3,(H,16,17,18)/t11-,12-
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| InChIKey |
HBAATYPOIUKKFI-HAQNSBGRSA-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