General Information of the Compound
| Compound ID |
CP0315415
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| Compound Name |
1-benzyl-N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]piperidin-4-amine
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
C(COc1ccc2nc(oc2c1)-c1cccc(NC2CCN(Cc3ccccc3)CC2)c1)CN1CCCC1
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| InChI |
InChI=1S/C32H38N4O2/c1-2-8-25(9-3-1)24-36-19-14-27(15-20-36)33-28-11-6-10-26(22-28)32-34-30-13-12-29(23-31(30)38-32)37-21-7-18-35-16-4-5-17-35/h1-3,6,8-13,22-23,27,33H,4-5,7,14-21,24H2
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| InChIKey |
MZXYYKFMCJEETH-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