General Information of the Compound
| Compound ID |
CP0422359
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| Compound Name |
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] dodecanedioate
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| Structure |
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| Formula |
C40H54N12O4
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| Molecular Weight |
766.952
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| Canonical SMILES |
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1
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| InChI |
InChI=1S/C40H54N12O4/c41-39-47-35(45-27-13-14-27)33-37(49-39)51(23-43-33)29-17-11-25(19-29)21-55-31(53)9-7-5-3-1-2-4-6-8-10-32(54)56-22-26-12-18-30(20-26)52-24-44-34-36(46-28-15-16-28)48-40(42)50-38(34)52/h11-12,17-18,23-30H,1-10,13-16,19-22H2,(H3,41,45,47,49)(H3,42,46,48,50)/t25-,26-,29+,30+/m1/s1
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| InChIKey |
OBBWISLGLZRWIF-HHGOQMMWSA-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