General Information of the Compound
| Compound ID |
CP0401421
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| Compound Name |
2-(5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazol-3-yl)-5-(1-(4-chlorophenyl)cyclopropyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C29H18BrCl3N6S2
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| Molecular Weight |
700.902
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| Canonical SMILES |
Cc1nnc(s1)-c1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(s1)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H18BrCl3N6S2/c1-15-34-35-26(40-15)23-24(27-36-37-28(41-27)29(12-13-29)17-4-8-19(31)9-5-17)38-39(22-11-10-20(32)14-21(22)33)25(23)16-2-6-18(30)7-3-16/h2-11,14H,12-13H2,1H3
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| InChIKey |
DGSVUMFCYCAPEU-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