General Information of the Compound
| Compound ID |
CP0432944
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| Compound Name |
4-(4-cyanophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C27H34N4O
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| Molecular Weight |
430.596
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccc(cc1)C#N)NC1CCCc2ccccc12
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| InChI |
InChI=1S/C27H34N4O/c28-21-22-12-14-24(15-13-22)31-19-17-30(18-20-31)16-5-1-2-11-27(32)29-26-10-6-8-23-7-3-4-9-25(23)26/h3-4,7,9,12-15,26H,1-2,5-6,8,10-11,16-20H2,(H,29,32)
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| InChIKey |
SUIRQMAMPLLXCL-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