General Information of the Compound
| Compound ID |
CP0852936
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| Compound Name |
3-chloro-7-(4-hydroxypiperidin-1-yl)-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
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| Structure |
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| Formula |
C15H14ClF3N4O
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| Molecular Weight |
358.751
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| Canonical SMILES |
Cc1[nH]c2c(N3CCC(O)CC3)c(C#N)c(C(F)(F)F)nc2c1Cl
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| InChI |
InChI=1S/C15H14ClF3N4O/c1-7-10(16)11-12(21-7)13(23-4-2-8(24)3-5-23)9(6-20)14(22-11)15(17,18)19/h8,21,24H,2-5H2,1H3
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| InChIKey |
RYIDVTZXCZJKOT-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