General Information of the Compound
| Compound ID |
CP0562881
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| Compound Name |
1-[4-[4-[4-(oxolan-2-yl)piperazin-1-yl]butoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C21H32N2O3
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| Molecular Weight |
360.498
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCCN2CCN(CC2)C2CCCO2)cc1
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| InChI |
InChI=1S/C21H32N2O3/c1-2-20(24)18-7-9-19(10-8-18)25-16-4-3-11-22-12-14-23(15-13-22)21-6-5-17-26-21/h7-10,21H,2-6,11-17H2,1H3
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| InChIKey |
LBOSCZWBRKMXDH-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