General Information of the Compound
| Compound ID |
CP0412050
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| Compound Name |
2-methyl-7-[4-(pyridin-2-ylamino)piperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
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| Structure |
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| Formula |
C20H19F3N6
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| Molecular Weight |
400.408
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| Canonical SMILES |
Cc1cc2nc(c(C#N)c(N3CCC(CC3)Nc3ccccn3)c2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N6/c1-12-10-15-17(26-12)18(14(11-24)19(28-15)20(21,22)23)29-8-5-13(6-9-29)27-16-4-2-3-7-25-16/h2-4,7,10,13,26H,5-6,8-9H2,1H3,(H,25,27)
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| InChIKey |
IAGGXQNHJXFASP-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
Protein ID: PT05802, Sodium-dependent phosphate transport protein 2A
Protein ID: PT06327, Sodium-dependent phosphate transport protein 2B
Protein ID: PT06563, Sodium-dependent phosphate transport protein 2C
Protein ID: PT06459, Sodium-dependent phosphate transporter 1
Protein ID: PT06507, Sodium-dependent phosphate transporter 2