General Information of the Compound
| Compound ID |
CP0509533
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| Compound Name |
1-[3-[4-[6-[3-(3-aminopyrrolidin-1-yl)propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C27H37N5O3
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| Molecular Weight |
479.625
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| Canonical SMILES |
NC1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CCC(N)C4)cc3o2)C1
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| InChI |
InChI=1S/C27H37N5O3/c28-21-9-13-31(18-21)11-1-15-33-23-5-3-20(4-6-23)27-30-25-8-7-24(17-26(25)35-27)34-16-2-12-32-14-10-22(29)19-32/h3-8,17,21-22H,1-2,9-16,18-19,28-29H2
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| InChIKey |
BIAMYZCEEUPXLJ-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9