General Information of the Compound
| Compound ID |
CP0428795
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| Compound Name |
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-methylphenyl)sulfanyl-5H-pyrrolo[3,4-b]pyridin-7-one
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| Structure |
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| Formula |
C27H29N3O3S
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| Molecular Weight |
475.614
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccc(C)cc3)nc2C1=O
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| InChI |
InChI=1S/C27H29N3O3S/c1-19-5-9-22(10-6-19)34-25-12-7-20-18-30(27(31)26(20)28-25)21-8-11-23(24(17-21)32-2)33-16-15-29-13-3-4-14-29/h5-12,17H,3-4,13-16,18H2,1-2H3
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| InChIKey |
DZWXUYGFPPWCNH-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