General Information of the Compound
| Compound ID |
CP0371716
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| Compound Name |
3-(acetylthio)-4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formamido)pent-3-enyl acetate
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| Structure |
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| Formula |
C17H23N3O4S
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| Molecular Weight |
365.455
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| Canonical SMILES |
CC(=O)OCC\C(SC(C)=O)=C(/C)N(Cc1ccc(C)nc1N)C=O
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| InChI |
InChI=1S/C17H23N3O4S/c1-11-5-6-15(17(18)19-11)9-20(10-21)12(2)16(25-14(4)23)7-8-24-13(3)22/h5-6,10H,7-9H2,1-4H3,(H2,18,19)/b16-12-
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| InChIKey |
RSHQKFCWQQFXBZ-VBKFSLOCSA-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