General Information of the Compound
| Compound ID |
CP0408579
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| Compound Name |
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H24ClN5O2
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| Molecular Weight |
425.92
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| Canonical SMILES |
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)C1Cc2cc(Cl)ccc2O1
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| InChI |
InChI=1S/C22H24ClN5O2/c1-13-6-8-28(22(29)19-10-14-9-15(23)3-4-18(14)30-19)11-17(13)27(2)21-16-5-7-24-20(16)25-12-26-21/h3-5,7,9,12-13,17,19H,6,8,10-11H2,1-2H3,(H,24,25,26)/t13-,17+,19?/m1/s1
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| InChIKey |
IYAFKKGFYHLLJK-XHNGYCAMSA-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