General Information of the Compound
| Compound ID |
CP0398219
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| Compound Name |
3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
O=c1oc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O2/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
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| InChIKey |
SIAFXZNOSNUNMU-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7