General Information of the Compound
| Compound ID |
CP0403732
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| Compound Name |
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] nonanedioate
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| Structure |
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| Formula |
C37H48N12O4
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| Molecular Weight |
724.871
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| Canonical SMILES |
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCCCCCCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1
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| InChI |
InChI=1S/C37H48N12O4/c38-36-44-32(42-24-10-11-24)30-34(46-36)48(20-40-30)26-14-8-22(16-26)18-52-28(50)6-4-2-1-3-5-7-29(51)53-19-23-9-15-27(17-23)49-21-41-31-33(43-25-12-13-25)45-37(39)47-35(31)49/h8-9,14-15,20-27H,1-7,10-13,16-19H2,(H3,38,42,44,46)(H3,39,43,45,47)/t22-,23-,26+,27+/m1/s1
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| InChIKey |
PWPAWKDESHZZDQ-YWUUFRFPSA-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