General Information of the Compound
| Compound ID |
CP0238875
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| Compound Name |
N-[6-[2-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCCCc2cccnc2)n1
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| InChI |
InChI=1S/C21H19N5O2S/c1-14(27)24-21-26-18-7-6-16(12-19(18)29-21)17-8-10-23-20(25-17)28-11-3-5-15-4-2-9-22-13-15/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,24,26,27)
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| InChIKey |
AEHPIXXCBRCHDK-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