General Information of the Compound
| Compound ID |
CP0942229
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| Compound Name |
Cyclopentyl-[4-(4-piperidin-1-ylmethyl-benzyloxy)-phenyl]-methanone oxalate
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| Structure |
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| Formula |
C27H33NO6
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| Molecular Weight |
467.562
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| Canonical SMILES |
O=C(O)C(=O)O.O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CCCC1
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| InChI |
InChI=1S/C25H31NO2.C2H2O4/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26;3-1(4)2(5)6/h8-15,22H,1-7,16-19H2;(H,3,4)(H,5,6)
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| InChIKey |
WBUUCFXMYXIAKM-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