General Information of the Compound
| Compound ID |
CP0511305
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| Compound Name |
2-(4-tert-butylphenyl)-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 |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(nc2C1=O)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C30H35N3O3/c1-30(2,3)23-10-7-21(8-11-23)25-13-9-22-20-33(29(34)28(22)31-25)24-12-14-26(27(19-24)35-4)36-18-17-32-15-5-6-16-32/h7-14,19H,5-6,15-18,20H2,1-4H3
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| InChIKey |
IQPCAZJPFXBSSX-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