General Information of the Compound
| Compound ID |
CP0351219
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| Compound Name |
2-(3-piperidin-4-ylphenyl)-6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazole
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1CCNCC1)CN1CCCC1
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| InChI |
InChI=1S/C25H31N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-8,17-19,26H,1-2,4,9-16H2
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| InChIKey |
PMACZYRZYCCPKP-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