General Information of the Compound
| Compound ID |
CP0485145
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| Compound Name |
(R)-2-Methyl-4-(5-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Nc1ccc(cc1)C(C)(C)C)c1cc(C)cnn1
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| InChI |
InChI=1S/C21H29N5O/c1-15-12-19(24-22-13-15)25-10-11-26(16(2)14-25)20(27)23-18-8-6-17(7-9-18)21(3,4)5/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,23,27)/t16-/m1/s1
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| InChIKey |
CKONHGWQVWTZEX-MRXNPFEDSA-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