General Information of the Compound
| Compound ID |
CP0144564
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| Compound Name |
(5-Phenylthiazol-2-yl)(4-pyrrolidin-1-ylmethylpyridin-2-yl)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)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1
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| InChI |
InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)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 |
JBIXJDQVQFSQHB-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