General Information of the Compound
| Compound ID |
CP0386143
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| Compound Name |
4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]benzaldehyde
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| Structure |
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| Formula |
C26H24N4O2S
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| Molecular Weight |
456.571
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| Canonical SMILES |
O=Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C26H24N4O2S/c31-17-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-28-29-26(33-24-5-1-2-6-24)30(25)22-4-3-15-27-16-22/h3-4,7-17,24H,1-2,5-6,18H2
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| InChIKey |
JAMCROPNQCHNKU-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