General Information of the Compound
| Compound ID |
CP0570026
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| Compound Name |
[3-(4-piperidin-4-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]methyl dihydrogen phosphate
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| Formula |
C27H26F3N4O4P
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| Molecular Weight |
558.497
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| Canonical SMILES |
OP(O)(=O)OCc1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C27H26F3N4O4P/c28-27(29,30)24-7-5-22(6-8-24)26-16-34(33-32-26)25-14-18(17-38-39(35,36)37)13-23(15-25)20-3-1-19(2-4-20)21-9-11-31-12-10-21/h1-8,13-16,21,31H,9-12,17H2,(H2,35,36,37)
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| InChIKey |
NKOIGZIUGCVBET-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