General Information of the Compound
| Compound ID |
CP0427164
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| Compound Name |
3-[3-[(4-chloro-3-methylphenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C20H21ClN4OS
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| Molecular Weight |
400.935
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| Canonical SMILES |
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl
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| InChI |
InChI=1S/C20H21ClN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
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| InChIKey |
BNMBTZWDCMNZSH-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