General Information of the Compound
| Compound ID |
CP0961708
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| Compound Name |
2-[(1S)-1-(4-Fluorophenyl)ethyl]-7-methyl-5-[3-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C29H23FN4O
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| Molecular Weight |
462.528
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc2c1C(=O)N([C@@H](C)c1ccc(F)cc1)C2
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| InChI |
InChI=1S/C29H23FN4O/c1-17-11-21(22-13-25-26(15-33-28(25)32-14-22)20-7-9-31-10-8-20)12-23-16-34(29(35)27(17)23)18(2)19-3-5-24(30)6-4-19/h3-15,18H,16H2,1-2H3,(H,32,33)/t18-/m0/s1
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| InChIKey |
VDVXAZJBPVHKHO-SFHVURJKSA-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