General Information of the Compound
| Compound ID |
CP0040849
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| Compound Name |
6-(3,4-dichlorophenyl)-7,7-dimethyl-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C18H16Cl2N6S
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| Molecular Weight |
419.341
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| Canonical SMILES |
CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)
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| InChIKey |
OAVBVPBWKZMCDP-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