General Information of the Compound
| Compound ID |
CP0494965
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| Compound Name |
[4-amino-2-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyridin-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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| Structure |
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| Formula |
C21H21Cl2N5O2S
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| Molecular Weight |
478.405
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| Canonical SMILES |
Cc1nc(ccc1Nc1nc(N)c(s1)C(=O)c1c(Cl)cccc1Cl)N1CCC(O)CC1
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| InChI |
InChI=1S/C21H21Cl2N5O2S/c1-11-15(5-6-16(25-11)28-9-7-12(29)8-10-28)26-21-27-20(24)19(31-21)18(30)17-13(22)3-2-4-14(17)23/h2-6,12,29H,7-10,24H2,1H3,(H,26,27)
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| InChIKey |
YTDAMDXDSPIYMI-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