General Information of the Compound
| Compound ID |
CP0248253
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| Compound Name |
2-[6-benzyl-1-[2-[(3,5-dimethyl-1,2,4-triazol-4-yl)methyl]-4-methylphenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C28H27N5O2
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| Molecular Weight |
465.557
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| Canonical SMILES |
Cc1nnc(C)n1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(Cc3ccccc3)nc12
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| InChI |
InChI=1S/C28H27N5O2/c1-18-9-12-26(23(13-18)17-32-19(2)30-31-20(32)3)33-16-22(15-27(34)35)25-11-10-24(29-28(25)33)14-21-7-5-4-6-8-21/h4-13,16H,14-15,17H2,1-3H3,(H,34,35)
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| InChIKey |
QSQCUKNMDYDIFJ-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