General Information of the Compound
| Compound ID |
CP0477721
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| Compound Name |
N-hydroxy-2-[methyl-[[9-methyl-6-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]purin-8-yl]methyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C24H24F3N9O3
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| Molecular Weight |
543.51
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C24H24F3N9O3/c1-34(23-28-11-15(12-29-23)22(37)33-38)13-17-30-18-20(35(17)2)31-19(32-21(18)36-7-9-39-10-8-36)14-3-5-16(6-4-14)24(25,26)27/h3-6,11-12,38H,7-10,13H2,1-2H3,(H,33,37)
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| InChIKey |
BRNKRTPTUZOCPU-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