General Information of the Compound
| Compound ID |
CP0485309
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| Compound Name |
4-[4-[(5-cyclopentylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylbenzamide
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33)
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| InChIKey |
ITZOAIQISRTPQW-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