General Information of the Compound
| Compound ID |
CP0806313
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| Compound Name |
N-(2-(5-chloro-2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-ylamino)phenyl)propionamide
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| Structure |
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| Formula |
C18H22ClN5O2
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| Molecular Weight |
375.86
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| Canonical SMILES |
CCC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl
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| InChI |
InChI=1S/C18H22ClN5O2/c1-2-16(25)22-14-5-3-4-6-15(14)23-17-13(19)11-20-18(24-17)21-12-7-9-26-10-8-12/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)(H2,20,21,23,24)
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| InChIKey |
JZDAKZQIQGCCGO-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