General Information of the Compound
| Compound ID |
CP0005352
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| Compound Name |
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(8-methyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C20H30N6O3
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| Molecular Weight |
402.499
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| Canonical SMILES |
CN1CCC2(CCCN2C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc3c(N)ncnc23)CC1
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| InChI |
InChI=1S/C20H30N6O3/c1-24-9-5-20(6-10-24)4-2-7-25(20)11-14-15(27)16(28)19(29-14)26-8-3-13-17(21)22-12-23-18(13)26/h3,8,12,14-16,19,27-28H,2,4-7,9-11H2,1H3,(H2,21,22,23)/t14-,15-,16-,19-/m1/s1
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| InChIKey |
UJBWICUCTXANPU-YKTARERQSA-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