General Information of the Compound
| Compound ID |
CP0535501
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| Compound Name |
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
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| Structure |
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| Formula |
C28H25F4N3O3
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| Molecular Weight |
527.518
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| Canonical SMILES |
C[C@@H](Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
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| InChI |
InChI=1S/C28H25F4N3O3/c1-18(20-5-3-2-4-6-20)34-26-10-8-22(17-33-26)23(15-19-11-13-35(36)14-12-19)21-7-9-24(37-27(29)30)25(16-21)38-28(31)32/h2-14,16-18,23,27-28H,15H2,1H3,(H,33,34)/t18-,23?/m1/s1
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| InChIKey |
DTSRVIPSGXHWMM-FKSKYRLFSA-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