General Information of the Compound
| Compound ID |
CP0389888
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| Compound Name |
N-[3-chloro-4-[3-(methylcarbamoyl)-1,2,4-triazol-1-yl]phenyl]-1-(3-chloropyridin-2-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H21Cl2N7O2
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| Molecular Weight |
474.352
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| Canonical SMILES |
CNC(=O)c1ncn(n1)-c1ccc(NC(=O)C2CCN(CC2)c2ncccc2Cl)cc1Cl
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| InChI |
InChI=1S/C21H21Cl2N7O2/c1-24-21(32)18-26-12-30(28-18)17-5-4-14(11-16(17)23)27-20(31)13-6-9-29(10-7-13)19-15(22)3-2-8-25-19/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,24,32)(H,27,31)
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| InChIKey |
YZTBZAJIUDLISB-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