General Information of the Compound
| Compound ID |
CP0554827
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| Compound Name |
(5S)-N-(4-bromophenyl)-5-(2-hydroxyethyl)-5-(4-methoxyphenyl)-3-pyridin-3-yl-4H-pyrazole-1-carboxamide
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| Structure |
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| Formula |
C24H23BrN4O3
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| Molecular Weight |
495.377
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| Canonical SMILES |
COc1ccc(cc1)[C@@]1(CCO)CC(=NN1C(=O)Nc1ccc(Br)cc1)c1cccnc1
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| InChI |
InChI=1S/C24H23BrN4O3/c1-32-21-10-4-18(5-11-21)24(12-14-30)15-22(17-3-2-13-26-16-17)28-29(24)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/m1/s1
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| InChIKey |
FKUVJZGPXYCCEB-XMMPIXPASA-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