General Information of the Compound
| Compound ID |
CP0511036
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| Compound Name |
2-[(3-fluorophenyl)methyl]-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
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| Structure |
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| Formula |
C27H28FN3O3
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| Molecular Weight |
461.537
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Cc3cccc(F)c3)nc2C1=O
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| InChI |
InChI=1S/C27H28FN3O3/c1-33-25-17-23(9-10-24(25)34-14-13-30-11-2-3-12-30)31-18-20-7-8-22(29-26(20)27(31)32)16-19-5-4-6-21(28)15-19/h4-10,15,17H,2-3,11-14,16,18H2,1H3
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| InChIKey |
GAAMNPMSLIHUDL-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