General Information of the Compound
| Compound ID |
CP0106410
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| Compound Name |
ethyl 4-[[4-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]methyl]-2,6-diethoxybenzoate
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| Structure |
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| Formula |
C26H33N3O5
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| Molecular Weight |
467.566
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| Canonical SMILES |
CCOC(=O)c1c(OCC)cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCC
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| InChI |
InChI=1S/C26H33N3O5/c1-4-31-22-15-18(16-23(32-5-2)24(22)25(30)33-6-3)17-29-13-11-19(12-14-29)27-26-28-20-9-7-8-10-21(20)34-26/h7-10,15-16,19H,4-6,11-14,17H2,1-3H3,(H,27,28)
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| InChIKey |
OZKJQXVQMICDTB-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