General Information of the Compound
| Compound ID |
CP0770005
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| Compound Name |
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(2-pyrrolidin-1-yl-7-quinolyl)oxymethyl]tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C24H26N6O4
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| Molecular Weight |
462.51
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| Canonical SMILES |
Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCCC4)nc3c2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H26N6O4/c25-22-16-7-10-30(23(16)27-13-26-22)24-21(32)20(31)18(34-24)12-33-15-5-3-14-4-6-19(28-17(14)11-15)29-8-1-2-9-29/h3-7,10-11,13,18,20-21,24,31-32H,1-2,8-9,12H2,(H2,25,26,27)/t18-,20-,21-,24-/m1/s1
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| InChIKey |
WTBCNABVOCLART-UMCMBGNQSA-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