General Information of the Compound
| Compound ID |
CP0136510
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| Compound Name |
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CC(C)Oc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC(C)C)c1
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| InChI |
InChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27)
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| InChIKey |
CXPKYGRXQJDDNM-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