General Information of the Compound
| Compound ID |
CP0083010
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| Compound Name |
N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylhexanamide
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| Structure |
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| Formula |
C24H31N3O3S2
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| Molecular Weight |
473.664
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| Canonical SMILES |
CCCCCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C24H31N3O3S2/c1-4-5-6-10-23(28)26-32(29,30)24-22(15-21(31-24)13-18(2)3)20-9-7-8-19(14-20)16-27-12-11-25-17-27/h7-9,11-12,14-15,17-18H,4-6,10,13,16H2,1-3H3,(H,26,28)
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| InChIKey |
YTPZZKDAMNEXRZ-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