General Information of the Compound
| Compound ID |
CP0548732
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| Compound Name |
4-(aminomethyl)-N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
NCc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
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| InChI |
InChI=1S/C28H30N4O3/c29-19-20-7-9-21(10-8-20)27(33)30-23-6-3-5-22(17-23)28-31-25-12-11-24(18-26(25)35-28)34-16-4-15-32-13-1-2-14-32/h3,5-12,17-18H,1-2,4,13-16,19,29H2,(H,30,33)
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| InChIKey |
VMVCZHWEWHVJHV-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