General Information of the Compound
| Compound ID |
CP0969676
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| Compound Name |
(2R,3S,5R)-5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-[[2-(cyclopropylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C27H28N8O3
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| Molecular Weight |
512.574
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| Canonical SMILES |
Cn1ccc(-c2cn([C@H]3C[C@H](O)[C@@H](COc4ccc5ccc(NC6CC6)nc5c4)O3)c3ncnc(N)c23)n1
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| InChI |
InChI=1S/C27H28N8O3/c1-34-9-8-19(33-34)18-12-35(27-25(18)26(28)29-14-30-27)24-11-21(36)22(38-24)13-37-17-6-2-15-3-7-23(31-16-4-5-16)32-20(15)10-17/h2-3,6-10,12,14,16,21-22,24,36H,4-5,11,13H2,1H3,(H,31,32)(H2,28,29,30)/t21-,22+,24+/m0/s1
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| InChIKey |
YMKOHBLIWAKQFU-WMTXJRDZSA-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