General Information of the Compound
| Compound ID |
CP0069318
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| Compound Name |
[3-[2-methyl-6-[(4-methylpyridin-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C23H25N5O
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| Molecular Weight |
387.487
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| Canonical SMILES |
Cc1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)27-22-14-20(25-17(2)26-22)19-9-6-12-28(15-19)23(29)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
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| InChIKey |
MVRFKJDYYPKRFL-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