General Information of the Compound
| Compound ID |
CP0181458
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| Compound Name |
6-(3,4-dichlorophenyl)-7-(2-methylpropyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C20H20Cl2N6S
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| Molecular Weight |
447.395
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| Canonical SMILES |
CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H20Cl2N6S/c1-10(2)8-16-17(11-6-7-13(21)14(22)9-11)27-28-19(25-26-20(28)29-16)18-12-4-3-5-15(12)23-24-18/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,23,24)
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| InChIKey |
TWKJMYNCQSTQIM-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