General Information of the Compound
| Compound ID |
CP0487456
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| Compound Name |
1N,1N-dimethyl-4-{5-(4-dimethylaminophenyl)-2-[5-(3,5-dimethyl-1H-1-pyrazolyl)pentylsulfanyl]-1H-4-imidazolyl}aniline
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| Structure |
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| Formula |
C29H38N6S
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| Molecular Weight |
502.732
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1nc(SCCCCCn2nc(C)cc2C)[nH]c1-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C29H38N6S/c1-21-20-22(2)35(32-21)18-8-7-9-19-36-29-30-27(23-10-14-25(15-11-23)33(3)4)28(31-29)24-12-16-26(17-13-24)34(5)6/h10-17,20H,7-9,18-19H2,1-6H3,(H,30,31)
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| InChIKey |
TVBKUUPCQBVJRN-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