General Information of the Compound
| Compound ID |
CP0427935
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| Compound Name |
2-[[2-(4-aminophenyl)-9-cyclopentyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H32N10O3
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| Molecular Weight |
544.62
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C27H32N10O3/c1-35(27-29-14-18(15-30-27)26(38)34-39)16-21-31-22-24(36-10-12-40-13-11-36)32-23(17-6-8-19(28)9-7-17)33-25(22)37(21)20-4-2-3-5-20/h6-9,14-15,20,39H,2-5,10-13,16,28H2,1H3,(H,34,38)
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| InChIKey |
DZTRXWBNYFRNIH-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