General Information of the Compound
| Compound ID |
CP0411668
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| Compound Name |
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] butanedioate
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| Structure |
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| Formula |
C32H38N12O4
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| Molecular Weight |
654.736
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| Canonical SMILES |
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1
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| InChI |
InChI=1S/C32H38N12O4/c33-31-39-27(37-19-3-4-19)25-29(41-31)43(15-35-25)21-7-1-17(11-21)13-47-23(45)9-10-24(46)48-14-18-2-8-22(12-18)44-16-36-26-28(38-20-5-6-20)40-32(34)42-30(26)44/h1-2,7-8,15-22H,3-6,9-14H2,(H3,33,37,39,41)(H3,34,38,40,42)/t17-,18-,21+,22+/m1/s1
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| InChIKey |
JUULLZOYILZTBT-UBBRYJJRSA-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