General Information of the Compound
| Compound ID |
CP0559112
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| Compound Name |
2-[1-[2-[(3-benzyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-chlorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C27H24ClN5O2
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| Molecular Weight |
485.975
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| Canonical SMILES |
Cc1nnc(Cc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C27H24ClN5O2/c1-17-8-10-23-20(14-26(34)35)15-33(27(23)29-17)24-11-9-22(28)13-21(24)16-32-18(2)30-31-25(32)12-19-6-4-3-5-7-19/h3-11,13,15H,12,14,16H2,1-2H3,(H,34,35)
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| InChIKey |
NGLFPHQCSSWIRP-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