General Information of the Compound
| Compound ID |
CP0961089
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| Compound Name |
(S)-7-(5-(((2-(azetidin-1-yl)quinolin-7-yl)oxy)methyl)pyridin-3-yl)-5-(tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C28H27N7O2
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| Molecular Weight |
493.571
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| Canonical SMILES |
Nc1ncnc2c1c([C@@H]1CCCO1)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1
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| InChI |
InChI=1S/C28H27N7O2/c29-27-26-22(24-3-1-10-36-24)15-35(28(26)32-17-31-27)20-11-18(13-30-14-20)16-37-21-6-4-19-5-7-25(33-23(19)12-21)34-8-2-9-34/h4-7,11-15,17,24H,1-3,8-10,16H2,(H2,29,31,32)/t24-/m0/s1
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| InChIKey |
RNODSVXHVZCKSE-DEOSSOPVSA-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