General Information of the Compound
| Compound ID |
CP0481516
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| Compound Name |
3-[3-[(3-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C19H19ClN4OS
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| Molecular Weight |
386.908
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| Canonical SMILES |
Clc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
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| InChI |
InChI=1S/C19H19ClN4OS/c20-14-5-3-7-16(11-14)25-13-18-22-23-19(26-17-8-1-2-9-17)24(18)15-6-4-10-21-12-15/h3-7,10-12,17H,1-2,8-9,13H2
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| InChIKey |
RSHFGRXPCLPLHG-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