General Information of the Compound
| Compound ID |
CP0510443
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| Compound Name |
5-Azepan-1-ylpentanoic acid(4-pyridin-3-yl-phenyl)amide
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
O=C(CCCCN1CCCCCC1)Nc1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C22H29N3O/c26-22(9-3-6-17-25-15-4-1-2-5-16-25)24-21-12-10-19(11-13-21)20-8-7-14-23-18-20/h7-8,10-14,18H,1-6,9,15-17H2,(H,24,26)
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| InChIKey |
XJAALKCPIRFEIJ-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