General Information of the Compound
| Compound ID |
CP0402090
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| Compound Name |
(2R,4R)-1-(3-bromopyridin-2-yl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C19H21BrClN3O2
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| Molecular Weight |
438.753
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| Canonical SMILES |
COc1ccc(NC(=O)[C@@H]2CCN([C@H](C)C2)c2ncccc2Br)cc1Cl
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| InChI |
InChI=1S/C19H21BrClN3O2/c1-12-10-13(7-9-24(12)18-15(20)4-3-8-22-18)19(25)23-14-5-6-17(26-2)16(21)11-14/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,23,25)/t12-,13-/m1/s1
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| InChIKey |
HZCJWMYCYMDXPI-CHWSQXEVSA-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