General Information of the Compound
| Compound ID |
CP0539530
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| Compound Name |
Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-tert-butyl-amine
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| Structure |
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| Formula |
C31H31F4N3O3
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| Molecular Weight |
569.599
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| Canonical SMILES |
CC(C)(C)N(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C31H31F4N3O3/c1-31(2,3)38(20-22-7-5-4-6-8-22)28-12-10-24(19-36-28)25(17-21-13-15-37(39)16-14-21)23-9-11-26(40-29(32)33)27(18-23)41-30(34)35/h4-16,18-19,25,29-30H,17,20H2,1-3H3
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| InChIKey |
KBIOBBAHXDKGCO-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