General Information of the Compound
| Compound ID |
CP0342434
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| Compound Name |
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1
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| InChI |
InChI=1S/C26H31N5O/c1-3-29(2)26(32)22-11-9-21(10-12-22)25(23-7-6-13-27-19-23)31-17-15-30(16-18-31)20-24-8-4-5-14-28-24/h4-14,19,25H,3,15-18,20H2,1-2H3/t25-/m1/s1
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| InChIKey |
FDLRWQBJULJDBB-RUZDIDTESA-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