General Information of the Compound
| Compound ID |
CP0398176
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| Compound Name |
N-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C20H21FN4O2
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| Molecular Weight |
368.412
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)
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| InChIKey |
ISOUPXKKYOUPJK-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