General Information of the Compound
| Compound ID |
CP0463856
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| Compound Name |
1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C23H25N5O2
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| Molecular Weight |
403.486
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| Canonical SMILES |
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCC2=O)c(C)c1
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| InChI |
InChI=1S/C23H25N5O2/c1-15-13-17(30-3)6-7-19(15)26-11-8-18-20(14-16(2)24-23(18)26)28-12-9-21(25-28)27-10-4-5-22(27)29/h6-7,9,12-14H,4-5,8,10-11H2,1-3H3
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| InChIKey |
MPTOHMVIKGIXBA-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