General Information of the Compound
| Compound ID |
CP0381641
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| Compound Name |
bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] heptanedioate
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| Structure |
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| Formula |
C35H44N12O4
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| Molecular Weight |
696.817
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| Canonical SMILES |
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCCCCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1
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| InChI |
InChI=1S/C35H44N12O4/c36-34-42-30(40-22-8-9-22)28-32(44-34)46(18-38-28)24-12-6-20(14-24)16-50-26(48)4-2-1-3-5-27(49)51-17-21-7-13-25(15-21)47-19-39-29-31(41-23-10-11-23)43-35(37)45-33(29)47/h6-7,12-13,18-25H,1-5,8-11,14-17H2,(H3,36,40,42,44)(H3,37,41,43,45)/t20-,21-,24+,25+/m1/s1
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| InChIKey |
SRQYGCFPSZBXOJ-ZLSIYFNSSA-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