General Information of the Compound
| Compound ID |
CP0481588
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| Compound Name |
2-benzyl-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 |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Cc3ccccc3)nc2C1=O
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| InChI |
InChI=1S/C27H29N3O3/c1-32-25-18-23(11-12-24(25)33-16-15-29-13-5-6-14-29)30-19-21-9-10-22(28-26(21)27(30)31)17-20-7-3-2-4-8-20/h2-4,7-12,18H,5-6,13-17,19H2,1H3
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| InChIKey |
OUIBHJDVXJJNHJ-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