General Information of the Compound
| Compound ID |
CP0481965
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(2-phenylethylcarbamoyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C32H34N4O4
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| Molecular Weight |
538.648
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)NCCc1ccccc1)C(=O)C1CC1
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| InChI |
InChI=1S/C32H34N4O4/c1-3-35(32(40)23-10-11-23)19-26-17-24(31(39)33-16-15-22-7-5-4-6-8-22)12-14-28(26)36-20-25(18-29(37)38)27-13-9-21(2)34-30(27)36/h4-9,12-14,17,20,23H,3,10-11,15-16,18-19H2,1-2H3,(H,33,39)(H,37,38)
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| InChIKey |
QFRZMTIOERYFFN-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