General Information of the Compound
| Compound ID |
CP0472630
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| Compound Name |
3-[6-[4-[5-(2-oxo-1,3-benzoxazol-3-yl)pentyl]piperazin-1-yl]hexyl]-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
O=c1oc2ccccc2n1CCCCCCN1CCN(CCCCCn2c3ccccc3oc2=O)CC1
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| InChI |
InChI=1S/C29H38N4O4/c34-28-32(24-12-4-6-14-26(24)36-28)18-10-2-1-8-16-30-20-22-31(23-21-30)17-9-3-11-19-33-25-13-5-7-15-27(25)37-29(33)35/h4-7,12-15H,1-3,8-11,16-23H2
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| InChIKey |
TWFDQCONQMAKPA-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