General Information of the Compound
| Compound ID |
CP0968130
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| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-[(2R)-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluoro-2-[[2-(methylamino)-7-quinolyl]oxymethyl]tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C25H27FN6O4
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| Molecular Weight |
494.527
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| Canonical SMILES |
CNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc([C@H]5CCCO5)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C25H27FN6O4/c1-28-19-7-5-13-4-6-14(9-16(13)31-19)35-11-18-22(33)21(26)25(36-18)32-10-15(17-3-2-8-34-17)20-23(27)29-12-30-24(20)32/h4-7,9-10,12,17-18,21-22,25,33H,2-3,8,11H2,1H3,(H,28,31)(H2,27,29,30)/t17-,18-,21+,22-,25-/m1/s1
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| InChIKey |
PVULNZOSBJJNKR-PBMSBOGISA-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