General Information of the Compound
| Compound ID |
CP0073900
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| Compound Name |
2-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-ylamino)benzo[d]oxazole-5-sulfonamide
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| Structure |
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| Formula |
C23H31N5O5S
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| Molecular Weight |
489.598
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)cc(OCC)c1N
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| InChI |
InChI=1S/C23H31N5O5S/c1-3-31-20-11-15(12-21(22(20)24)32-4-2)14-28-9-7-16(8-10-28)26-23-27-18-13-17(34(25,29)30)5-6-19(18)33-23/h5-6,11-13,16H,3-4,7-10,14,24H2,1-2H3,(H,26,27)(H2,25,29,30)
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| InChIKey |
OFGZKSUTEKHHAS-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