General Information of the Compound
| Compound ID |
CP0932426
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| Compound Name |
1-[4-(4-Styryl-phenoxymethyl)-benzyl]-piperidine oxalate
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| Structure |
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| Formula |
C29H31NO5
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| Molecular Weight |
473.569
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| Canonical SMILES |
C(=C/c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)\c1ccccc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C27H29NO.C2H2O4/c1-3-7-23(8-4-1)9-10-24-15-17-27(18-16-24)29-22-26-13-11-25(12-14-26)21-28-19-5-2-6-20-28;3-1(4)2(5)6/h1,3-4,7-18H,2,5-6,19-22H2;(H,3,4)(H,5,6)/b10-9+;
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| InChIKey |
NOUXZFDTQJJAOO-RRABGKBLSA-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