General Information of the Compound
| Compound ID |
CP0531970
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| Compound Name |
1N,1N-dimethyl-4-{5-(4-dimethylaminophenyl)-2-[5-(2-isopropyl-1H-benzo[d]imidazol-1-yl)pentylsulfanyl]-1H-4-imidazolyl}aniline
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| Structure |
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| Formula |
C34H42N6S
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| Molecular Weight |
566.819
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| Canonical SMILES |
CC(C)c1nc2ccccc2n1CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C34H42N6S/c1-24(2)33-35-29-12-8-9-13-30(29)40(33)22-10-7-11-23-41-34-36-31(25-14-18-27(19-15-25)38(3)4)32(37-34)26-16-20-28(21-17-26)39(5)6/h8-9,12-21,24H,7,10-11,22-23H2,1-6H3,(H,36,37)
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| InChIKey |
WKISACLMQHMLCD-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