General Information of the Compound
| Compound ID |
CP0579012
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| Compound Name |
1-[2-(cyclopropylmethoxy)ethyl]-3-[4-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C20H21N5O2S
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| Molecular Weight |
395.488
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| Canonical SMILES |
Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C20H21N5O2S/c1-13-17(5-4-15-10-16-6-7-21-18(16)23-11-15)28-20(24-13)25-19(26)22-8-9-27-12-14-2-3-14/h6-7,10-11,14H,2-3,8-9,12H2,1H3,(H,21,23)(H2,22,24,25,26)
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| InChIKey |
SANKLTIPXBLFAY-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