General Information of the Compound
| Compound ID |
CP0542182
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| Compound Name |
4-diethylaminomethyl-N-pyrrolidin-3-yl-N-(2-o-tolyl-ethyl)-benzamide
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| Structure |
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| Formula |
C25H35N3O
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| Molecular Weight |
393.575
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| Canonical SMILES |
CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1C)C1CCNC1
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| InChI |
InChI=1S/C25H35N3O/c1-4-27(5-2)19-21-10-12-23(13-11-21)25(29)28(24-14-16-26-18-24)17-15-22-9-7-6-8-20(22)3/h6-13,24,26H,4-5,14-19H2,1-3H3
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| InChIKey |
DGLGFXRWXZRMHG-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