General Information of the Compound
| Compound ID |
CP0389690
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| Compound Name |
N-methyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
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| Structure |
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| Formula |
C23H29N7OS
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| Molecular Weight |
451.6
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| Canonical SMILES |
CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C23H29N7OS/c1-28(23(31)14-17-6-8-19(9-7-17)30-16-24-26-27-30)18-10-12-29(13-11-18)15-22-25-20-4-2-3-5-21(20)32-22/h6-9,16,18H,2-5,10-15H2,1H3
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| InChIKey |
BIXKSWBUHPYYET-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