General Information of the Compound
| Compound ID |
CP0942643
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| Compound Name |
1-[4-(Indan-5-yloxymethyl)-benzyl]-piperidine oxalate
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| Structure |
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
O=C(O)C(=O)O.c1cc(CN2CCCCC2)ccc1COc1ccc2c(c1)CCC2
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| InChI |
InChI=1S/C22H27NO.C2H2O4/c1-2-13-23(14-3-1)16-18-7-9-19(10-8-18)17-24-22-12-11-20-5-4-6-21(20)15-22;3-1(4)2(5)6/h7-12,15H,1-6,13-14,16-17H2;(H,3,4)(H,5,6)
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| InChIKey |
KANNLHQUCQLFNV-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