General Information of the Compound
| Compound ID |
CP0569581
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-methyl-5-[2-(1,8-naphthyridin-3-yl)ethynyl]-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C21H21N5O2S
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| Molecular Weight |
407.499
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| Canonical SMILES |
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2ncccc2c1
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| InChI |
InChI=1S/C21H21N5O2S/c1-14-18(7-6-16-11-17-3-2-8-22-19(17)24-12-16)29-21(25-14)26-20(27)23-9-10-28-13-15-4-5-15/h2-3,8,11-12,15H,4-5,9-10,13H2,1H3,(H2,23,25,26,27)
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| InChIKey |
DLKRAGMIZODNTH-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