General Information of the Compound
| Compound ID |
CP0450323
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| Compound Name |
2-[[2-[3,5-bis(trifluoromethyl)phenyl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H23F6N9O3
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| Molecular Weight |
611.507
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C25H23F6N9O3/c1-38(23-32-10-14(11-33-23)22(41)37-42)12-17-34-18-20(39(17)2)35-19(36-21(18)40-3-5-43-6-4-40)13-7-15(24(26,27)28)9-16(8-13)25(29,30)31/h7-11,42H,3-6,12H2,1-2H3,(H,37,41)
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| InChIKey |
QHYVUXHAPSTTDP-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