General Information of the Compound
| Compound ID |
CP0404081
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| Compound Name |
[4-(piperidin-1-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
O=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H24N2O2/c25-22(14-18-15-23-21-7-3-2-6-20(18)21)26-19-10-8-17(9-11-19)16-24-12-4-1-5-13-24/h2-3,6-11,15,23H,1,4-5,12-14,16H2
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| InChIKey |
HMLJEMLPQCBDEX-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