General Information of the Compound
| Compound ID |
CP0442322
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| Compound Name |
(R)-4-(6-Chloro-5-methyl-pyridazin-3-yl)-2-methyl-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
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| Structure |
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| Formula |
C21H28ClN5O
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| Molecular Weight |
401.942
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Nc1ccc(cc1)C(C)(C)C)c1cc(C)c(Cl)nn1
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| InChI |
InChI=1S/C21H28ClN5O/c1-14-12-18(24-25-19(14)22)26-10-11-27(15(2)13-26)20(28)23-17-8-6-16(7-9-17)21(3,4)5/h6-9,12,15H,10-11,13H2,1-5H3,(H,23,28)/t15-/m1/s1
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| InChIKey |
RVHRWZKXTPOGRJ-OAHLLOKOSA-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