General Information of the Compound
| Compound ID |
CP0382604
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| Compound Name |
4-[4-(1H-indole-3-carbonyloxymethyl)piperidin-1-yl]butanoic acid
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| Structure |
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| Formula |
C19H24N2O4
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| Molecular Weight |
344.411
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| Canonical SMILES |
OC(=O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C19H24N2O4/c22-18(23)6-3-9-21-10-7-14(8-11-21)13-25-19(24)16-12-20-17-5-2-1-4-15(16)17/h1-2,4-5,12,14,20H,3,6-11,13H2,(H,22,23)
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| InChIKey |
KLCKNYYQLUGKAN-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