General Information of the Compound
| Compound ID |
CP0072522
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| Compound Name |
N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C19H23N5O2
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| Molecular Weight |
353.426
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| Canonical SMILES |
Cc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
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| InChIKey |
PKRRWXXVUMOSGN-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