General Information of the Compound
| Compound ID |
CP0431875
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| Compound Name |
N-propyl-5-[3-[2-(trifluoromethyl)phenyl]pyridin-4-yl]-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C18H16F3N3S
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| Molecular Weight |
363.408
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| Canonical SMILES |
CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N3S/c1-2-8-23-17-24-11-16(25-17)13-7-9-22-10-14(13)12-5-3-4-6-15(12)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24)
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| InChIKey |
BMJLHJQTBQSODA-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