General Information of the Compound
| Compound ID |
CP0512431
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| Compound Name |
N-[(3,5-dichlorophenyl)methyl]-4-(6-methylpyridin-2-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C22H16Cl2N6S
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| Molecular Weight |
467.385
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(NCc2cc(Cl)cc(Cl)c2)sc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C22H16Cl2N6S/c1-13-3-2-4-18(28-13)20-21(15-5-6-19-26-12-27-30(19)11-15)31-22(29-20)25-10-14-7-16(23)9-17(24)8-14/h2-9,11-12H,10H2,1H3,(H,25,29)
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| InChIKey |
IQOTVGHBBHOBKR-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