General Information of the Compound
| Compound ID |
CP0411767
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| Compound Name |
ethyl 4-[4-[(1H-indole-3-carbonylamino)methyl]piperidin-1-yl]butanoate
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| Structure |
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
CCOC(=O)CCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C21H29N3O3/c1-2-27-20(25)8-5-11-24-12-9-16(10-13-24)14-23-21(26)18-15-22-19-7-4-3-6-17(18)19/h3-4,6-7,15-16,22H,2,5,8-14H2,1H3,(H,23,26)
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| InChIKey |
QRWAUTZUKGDJQZ-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