General Information of the Compound
| Compound ID |
CP0063635
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| Compound Name |
6-chloro-N-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
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| Structure |
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| Formula |
C21H23Cl2N3O2
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| Molecular Weight |
420.34
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(Cl)cc3o2)ccc1Cl
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| InChI |
InChI=1S/C21H23Cl2N3O2/c1-2-27-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-21-25-18-6-4-15(22)12-20(18)28-21/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)
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| InChIKey |
HXNRUSVXJFFABV-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