General Information of the Compound
| Compound ID |
CP0564926
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| Compound Name |
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
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| Formula |
C17H20N2OS
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| Molecular Weight |
300.427
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| Canonical SMILES |
O=C(CCN1CCCc2ccccc12)NCc1cccs1
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| InChI |
InChI=1S/C17H20N2OS/c20-17(18-13-15-7-4-12-21-15)9-11-19-10-3-6-14-5-1-2-8-16(14)19/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,18,20)
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| InChIKey |
WELWVDXGWKTSSU-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