General Information of the Compound
| Compound ID |
CP0752437
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| Compound Name |
(R)-(5-Chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydrobenzofuran-2-yl)(piperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNCC1
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| InChI |
InChI=1S/C20H19ClN4O2/c21-13-9-12-10-17(20(26)25-7-5-22-6-8-25)27-18(12)16(11-13)14-1-3-23-19-15(14)2-4-24-19/h1-4,9,11,17,22H,5-8,10H2,(H,23,24)/t17-/m1/s1
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| InChIKey |
HOYXFXCLPCBVPO-QGZVFWFLSA-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