General Information of the Compound
| Compound ID |
CP0507648
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| Compound Name |
1-[3-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]phenyl]ethanone
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| Structure |
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| Formula |
C27H26N4O2S
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| Molecular Weight |
470.598
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C27H26N4O2S/c1-19(32)21-6-4-7-22(16-21)20-11-13-24(14-12-20)33-18-26-29-30-27(34-25-9-2-3-10-25)31(26)23-8-5-15-28-17-23/h4-8,11-17,25H,2-3,9-10,18H2,1H3
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| InChIKey |
VMDDTDMUYKQNPO-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