General Information of the Compound
| Compound ID |
CP0650777
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| Compound Name |
N-(3-(2-amino-4-methyl-4,5-dihydrothiazol-4-yl)phenyl)picolinamide
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| Structure |
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| Formula |
C16H16N4OS
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| Molecular Weight |
312.398
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| Canonical SMILES |
CC1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=N1
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| InChI |
InChI=1S/C16H16N4OS/c1-16(10-22-15(17)20-16)11-5-4-6-12(9-11)19-14(21)13-7-2-3-8-18-13/h2-9H,10H2,1H3,(H2,17,20)(H,19,21)
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| InChIKey |
JFCOBIVMEHQRGN-UHFFFAOYSA-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