General Information of the Compound
| Compound ID |
CP0248108
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| Compound Name |
2-[1-[2-[[[2-(dimethylamino)acetyl]-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H27F3N4O3
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| Molecular Weight |
476.499
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)CN(C)C
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| InChI |
InChI=1S/C24H27F3N4O3/c1-5-30(21(32)14-29(3)4)12-17-10-18(24(25,26)27)7-9-20(17)31-13-16(11-22(33)34)19-8-6-15(2)28-23(19)31/h6-10,13H,5,11-12,14H2,1-4H3,(H,33,34)
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| InChIKey |
YMYWDHUWWIBPRE-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