General Information of the Compound
| Compound ID |
CP0501700
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| Compound Name |
N-[(2-amino-6-methylpyridin-3-yl)methyl]-N-[(Z)-3-butylsulfanyl-5-hydroxypent-2-en-2-yl]formamide
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| Structure |
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| Formula |
C17H27N3O2S
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| Molecular Weight |
337.489
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| Canonical SMILES |
CCCCS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C=O
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| InChI |
InChI=1S/C17H27N3O2S/c1-4-5-10-23-16(8-9-21)14(3)20(12-22)11-15-7-6-13(2)19-17(15)18/h6-7,12,21H,4-5,8-11H2,1-3H3,(H2,18,19)/b16-14-
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| InChIKey |
HXWRIXBGGVGDRQ-PEZBUJJGSA-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