General Information of the Compound
| Compound ID |
CP0633640
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| Compound Name |
5-(2,5-dimethylthiazol-4-yl)-N-(2-fluorobenzyl)pyridin-2-amine
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| Structure |
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| Formula |
C17H16FN3S
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| Molecular Weight |
313.401
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| Canonical SMILES |
Cc1nc(-c2ccc(NCc3ccccc3F)nc2)c(C)s1
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| InChI |
InChI=1S/C17H16FN3S/c1-11-17(21-12(2)22-11)14-7-8-16(20-10-14)19-9-13-5-3-4-6-15(13)18/h3-8,10H,9H2,1-2H3,(H,19,20)
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| InChIKey |
PBHROZVTMQNBLZ-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