General Information of the Compound
| Compound ID |
CP0944332
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| Compound Name |
(2R,3R,4S,5R)-5-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[[2-(ethylamino)-7-quinolyl]oxymethyl]-4-fluoro-tetrahydrofuran-3-ol
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| Structure |
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| Formula |
C22H22ClFN6O3
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| Molecular Weight |
472.908
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| Canonical SMILES |
CCNc1ccc2ccc(OC[C@H]3O[C@@H](n4cc(Cl)c5c(N)ncnc54)[C@@H](F)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C22H22ClFN6O3/c1-2-26-16-6-4-11-3-5-12(7-14(11)29-16)32-9-15-19(31)18(24)22(33-15)30-8-13(23)17-20(25)27-10-28-21(17)30/h3-8,10,15,18-19,22,31H,2,9H2,1H3,(H,26,29)(H2,25,27,28)/t15-,18+,19-,22-/m1/s1
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| InChIKey |
KHBGXDWIVZWUNL-TWSMVNEUSA-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