General Information of the Compound
| Compound ID |
CP0545429
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| Compound Name |
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C25H30N4O4
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| Molecular Weight |
450.539
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| Canonical SMILES |
O=c1oc2ccccc2n1CCCCCN1CCN(CCn2c3ccccc3oc2=O)CC1
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| InChI |
InChI=1S/C25H30N4O4/c30-24-28(20-8-2-4-10-22(20)32-24)13-7-1-6-12-26-14-16-27(17-15-26)18-19-29-21-9-3-5-11-23(21)33-25(29)31/h2-5,8-11H,1,6-7,12-19H2
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| InChIKey |
GDUWSBUTXRBOKH-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