General Information of the Compound
| Compound ID |
CP0306224
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| Compound Name |
2-{4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pentyl]piperazin-1-yl}benzamide
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H36N4O2/c28-27(33)23-12-5-6-14-25(23)31-19-17-30(18-20-31)16-7-1-2-15-26(32)29-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H2,28,33)(H,29,32)
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| InChIKey |
CUNIRIUQESLLLU-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