General Information of the Compound
| Compound ID |
CP0488107
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| Compound Name |
N,N-dimethyl-2-[4-[4-(3-propylsulfanyl-1-benzothiophen-6-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethanamine
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| Structure |
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| Formula |
C29H30N4OS2
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| Molecular Weight |
514.72
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| Canonical SMILES |
CCCSc1csc2cc(ccc12)-c1nc([nH]c1-c1ccncc1)-c1ccc(OCCN(C)C)cc1
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| InChI |
InChI=1S/C29H30N4OS2/c1-4-17-35-26-19-36-25-18-22(7-10-24(25)26)28-27(20-11-13-30-14-12-20)31-29(32-28)21-5-8-23(9-6-21)34-16-15-33(2)3/h5-14,18-19H,4,15-17H2,1-3H3,(H,31,32)
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| InChIKey |
NLYBWVPTNPCBDH-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