General Information of the Compound
| Compound ID |
CP0536081
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| Compound Name |
1-(3-aminopyridin-2-yl)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C18H19ClN8O
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| Molecular Weight |
398.858
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| Canonical SMILES |
Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
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| InChI |
InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
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| InChIKey |
XRLOYXFJBUUMBI-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: PT03110, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000572 | BJAB | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 10000 nM
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TI
LI
LO
TS
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