General Information of the Compound
| Compound ID |
CP0014795
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| Compound Name |
1-[1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
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| Formula |
C20H29N7O4
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| Molecular Weight |
431.497
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| Canonical SMILES |
CC(=O)N1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)CC1
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| InChI |
InChI=1S/C20H29N7O4/c1-12(28)25-7-4-20(5-8-25)3-2-6-26(20)9-13-15(29)16(30)19(31-13)27-11-24-14-17(21)22-10-23-18(14)27/h10-11,13,15-16,19,29-30H,2-9H2,1H3,(H2,21,22,23)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
KZWWNCAMMMRVKV-NVQRDWNXSA-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