General Information of the Compound
| Compound ID |
CP0963828
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| Compound Name |
N,N-diethyl-5-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C26H26N4OS
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| Molecular Weight |
442.588
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| Canonical SMILES |
Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCCC5)cc4C3)c2)nc2ccccc21
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| InChI |
InChI=1S/C26H26N4OS/c1-28-22-10-3-2-9-21(22)27-25(28)18-7-6-8-20(15-18)30-14-11-23-19(17-30)16-24(32-23)26(31)29-12-4-5-13-29/h2-3,6-10,15-16H,4-5,11-14,17H2,1H3
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| InChIKey |
JJXURMGKHDVKHJ-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