General Information of the Compound
| Compound ID |
CP0660192
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| Compound Name |
7-[3-[(2-Chlorophenyl)carbonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C24H20ClN3O
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| Molecular Weight |
401.897
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| Canonical SMILES |
CN1CCc2ccc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)cc2C1
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| InChI |
InChI=1S/C24H20ClN3O/c1-28-9-8-15-6-7-16(10-18(15)14-28)17-11-20-21(13-27-24(20)26-12-17)23(29)19-4-2-3-5-22(19)25/h2-7,10-13H,8-9,14H2,1H3,(H,26,27)
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| InChIKey |
GTSQIGNGTWZBMV-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