General Information of the Compound
| Compound ID |
CP0190339
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| Compound Name |
2-[1-[2-[(3,5-dimethyl-1,2,4-triazol-4-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
Cc1nnc(C)n1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C22H23N5O2/c1-13-5-8-20(18(9-13)12-26-15(3)24-25-16(26)4)27-11-17(10-21(28)29)19-7-6-14(2)23-22(19)27/h5-9,11H,10,12H2,1-4H3,(H,28,29)
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| InChIKey |
ANPDRIIKKDXHFX-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