General Information of the Compound
| Compound ID |
CP0761670
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| Compound Name |
1-[6-[3-(2-Chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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| Structure |
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| Formula |
C25H20ClN3O2
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| Molecular Weight |
429.907
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| Canonical SMILES |
CC(=O)N1CCc2cc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)ccc2C1
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| InChI |
InChI=1S/C25H20ClN3O2/c1-15(30)29-9-8-17-10-16(6-7-18(17)14-29)19-11-21-22(13-28-25(21)27-12-19)24(31)20-4-2-3-5-23(20)26/h2-7,10-13H,8-9,14H2,1H3,(H,27,28)
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| InChIKey |
CSZDODQDQINNHM-UHFFFAOYSA-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