General Information of the Compound
| Compound ID |
CP0565322
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| Compound Name |
N-[3-[4-(4-cyanophenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexanecarboxamide
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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(NC(CCN1CCN(CC1)c1ccc(cc1)C#N)c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C27H34N4O/c28-21-22-11-13-25(14-12-22)31-19-17-30(18-20-31)16-15-26(23-7-3-1-4-8-23)29-27(32)24-9-5-2-6-10-24/h1,3-4,7-8,11-14,24,26H,2,5-6,9-10,15-20H2,(H,29,32)
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| InChIKey |
YTBHPCQNWRHYOM-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