General Information of the Compound
| Compound ID |
CP0558581
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| Compound Name |
2-[(R)-(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
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| Structure |
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| Formula |
C22H24ClN3O3
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| Molecular Weight |
413.905
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| Canonical SMILES |
OC(=O)c1ccnc2cc([nH]c12)[C@H](OCCN1CCCCC1)c1ccccc1Cl
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| InChI |
InChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m1/s1
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| InChIKey |
AWPYWZMMJZGPOX-OAQYLSRUSA-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