General Information of the Compound
| Compound ID |
CP0487242
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| Compound Name |
2-[4-amino-6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl]phenol
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| Structure |
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| Formula |
C16H14N4OS
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| Molecular Weight |
310.382
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| Canonical SMILES |
Cc1ccsc1\C=C\c1nc(N)nc(n1)-c1ccccc1O
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| InChI |
InChI=1S/C16H14N4OS/c1-10-8-9-22-13(10)6-7-14-18-15(20-16(17)19-14)11-4-2-3-5-12(11)21/h2-9,21H,1H3,(H2,17,18,19,20)/b7-6+
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| InChIKey |
LYXVHWMMKGFVBV-VOTSOKGWSA-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