General Information of the Compound
| Compound ID |
CP0406796
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| Compound Name |
3-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C17H19ClN2OS
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| Molecular Weight |
334.872
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| Canonical SMILES |
Clc1cccc(c1)-c1ccsc1C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C17H19ClN2OS/c18-14-3-1-2-13(10-14)15-6-9-22-16(15)17(21)20-11-12-4-7-19-8-5-12/h1-3,6,9-10,12,19H,4-5,7-8,11H2,(H,20,21)
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| InChIKey |
SZORFEIPPFPQHP-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