General Information of the Compound
| Compound ID |
CP0266723
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| Compound Name |
cyclopropyl-[4-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]phenyl]methanone
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
O=C(C1CC1)c1ccc(OCCCN2CCN(C\C=C\c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C26H32N2O2/c29-26(23-9-10-23)24-11-13-25(14-12-24)30-21-5-16-28-19-17-27(18-20-28)15-4-8-22-6-2-1-3-7-22/h1-4,6-8,11-14,23H,5,9-10,15-21H2/b8-4+
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| InChIKey |
BCEAIQUMKIIPQI-XBXARRHUSA-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