General Information of the Compound
| Compound ID |
CP0387313
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| Compound Name |
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C21H22N2O2S
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| Molecular Weight |
366.486
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| Canonical SMILES |
NCCN(Cc1cccs1)C(=O)c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C21H22N2O2S/c22-12-13-23(15-18-9-6-14-26-18)21(24)19-10-4-5-11-20(19)25-16-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16,22H2
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| InChIKey |
AQAVZJKBBCGSGM-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