General Information of the Compound
| Compound ID |
CP0467522
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| Compound Name |
2-[[2-(2-aminopyrimidin-5-yl)-9-cyclopentyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H30N12O3
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| Molecular Weight |
546.596
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C25H30N12O3/c1-35(25-29-12-16(13-30-25)23(38)34-39)14-18-31-19-21(36-6-8-40-9-7-36)32-20(15-10-27-24(26)28-11-15)33-22(19)37(18)17-4-2-3-5-17/h10-13,17,39H,2-9,14H2,1H3,(H,34,38)(H2,26,27,28)
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| InChIKey |
KDECPYCPIFHUDF-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