General Information of the Compound
| Compound ID |
CP0555199
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| Compound Name |
2-[6-methyl-1-[2-[(2-propylbenzimidazol-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
CCCc1nc2ccccc2n1Cc1ccccc1-n1cc(CC(O)=O)c2ccc(C)nc12
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| InChI |
InChI=1S/C27H26N4O2/c1-3-8-25-29-22-10-5-7-12-24(22)30(25)16-19-9-4-6-11-23(19)31-17-20(15-26(32)33)21-14-13-18(2)28-27(21)31/h4-7,9-14,17H,3,8,15-16H2,1-2H3,(H,32,33)
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| InChIKey |
AGSLQKASGQXKNJ-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