General Information of the Compound
| Compound ID |
CP0359950
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| Compound Name |
1-(3-aminopyridin-2-yl)-N-[3-chloro-4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C19H20ClN7O
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| Molecular Weight |
397.87
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| Canonical SMILES |
Nc1cccnc1N1CCC(CC1)C(=O)Nc1ccc(c(Cl)c1)-n1nccn1
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| InChI |
InChI=1S/C19H20ClN7O/c20-15-12-14(3-4-17(15)27-23-8-9-24-27)25-19(28)13-5-10-26(11-6-13)18-16(21)2-1-7-22-18/h1-4,7-9,12-13H,5-6,10-11,21H2,(H,25,28)
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| InChIKey |
DECWMEUVVFELTP-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