General Information of the Compound
| Compound ID |
CP0474434
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| Compound Name |
N-[(2-amino-6-methylpyridin-3-yl)methyl]-N-[(1Z)-1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide
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| Structure |
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| Formula |
C14H17N3O3S
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| Molecular Weight |
307.375
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| Canonical SMILES |
C\C(N(Cc1ccc(C)nc1N)C=O)=C1/CCOC(=O)S1
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| InChI |
InChI=1S/C14H17N3O3S/c1-9-3-4-11(13(15)16-9)7-17(8-18)10(2)12-5-6-20-14(19)21-12/h3-4,8H,5-7H2,1-2H3,(H2,15,16)/b12-10-
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| InChIKey |
UHNNMLVSWPGZGX-BENRWUELSA-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