General Information of the Compound
| Compound ID |
CP0415518
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| Compound Name |
N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-quinolin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H26N10O3
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| Molecular Weight |
526.561
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1cnc2ccccc2c1)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37)
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| InChIKey |
FRPKYYIEENVXNJ-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