General Information of the Compound
| Compound ID |
CP0520612
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| Compound Name |
6-(3,4-dichlorophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C17H14Cl2N6S
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| Molecular Weight |
405.314
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12
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| InChI |
InChI=1S/C17H14Cl2N6S/c18-11-6-5-9(7-12(11)19)14-8-26-17-23-22-16(25(17)24-14)15-10-3-1-2-4-13(10)20-21-15/h5-7H,1-4,8H2,(H,20,21)
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| InChIKey |
LPUKIEATFPNEKH-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