General Information of the Compound
| Compound ID |
CP0397873
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| Compound Name |
3-cycloheptyl-8-[(3,5-dichlorophenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C20H21Cl2N3S
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| Molecular Weight |
406.382
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| Canonical SMILES |
Clc1cc(Cl)cc(SCc2cccn3c(nnc23)C2CCCCCC2)c1
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| InChI |
InChI=1S/C20H21Cl2N3S/c21-16-10-17(22)12-18(11-16)26-13-15-8-5-9-25-19(23-24-20(15)25)14-6-3-1-2-4-7-14/h5,8-12,14H,1-4,6-7,13H2
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| InChIKey |
FSLSKQPWANDMQW-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