General Information of the Compound
| Compound ID |
CP0481961
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| Compound Name |
2-[1-[2-[(2-benzylpyrazol-3-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
Cc1ccc(c(Cc2ccnn2Cc2ccccc2)c1)-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C28H26N4O2/c1-19-8-11-26(31-18-23(16-27(33)34)25-10-9-20(2)30-28(25)31)22(14-19)15-24-12-13-29-32(24)17-21-6-4-3-5-7-21/h3-14,18H,15-17H2,1-2H3,(H,33,34)
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| InChIKey |
BTFPEUMPTHNIMV-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