General Information of the Compound
| Compound ID |
CP0133199
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| Compound Name |
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C19H20N4S
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| Molecular Weight |
336.464
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| Canonical SMILES |
C(N1CCCC1)c1ccc(Nc2ncc(s2)-c2ccccc2)nc1
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| InChI |
InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-9-8-15(12-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
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| InChIKey |
CRATWJDHVNOZDE-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