General Information of the Compound
| Compound ID |
CP0944331
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| Compound Name |
(2R,3S,5R)-5-(4-amino-5-pyrazol-1-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(azetidin-1-yl)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C26H26N8O3
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| Molecular Weight |
498.547
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| Canonical SMILES |
Nc1ncnc2c1c(-n1cccn1)cn2[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(N4CCC4)nc3c2)O1
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| InChI |
InChI=1S/C26H26N8O3/c27-25-24-19(34-10-1-7-30-34)13-33(26(24)29-15-28-25)23-12-20(35)21(37-23)14-36-17-5-3-16-4-6-22(31-18(16)11-17)32-8-2-9-32/h1,3-7,10-11,13,15,20-21,23,35H,2,8-9,12,14H2,(H2,27,28,29)/t20-,21+,23+/m0/s1
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| InChIKey |
IZOAMCQDKNSBQI-QZNHQXDQSA-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