General Information of the Compound
| Compound ID |
CP0142635
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| Compound Name |
N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H23N5O3S
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| Molecular Weight |
413.503
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCCCN2CCOCC2)n1
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| InChI |
InChI=1S/C20H23N5O3S/c1-14(26)22-20-24-17-4-3-15(13-18(17)29-20)16-5-6-21-19(23-16)28-10-2-7-25-8-11-27-12-9-25/h3-6,13H,2,7-12H2,1H3,(H,22,24,26)
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| InChIKey |
FPKLTRMCIZMFSF-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