General Information of the Compound
| Compound ID |
CP0143150
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| Compound Name |
N-(3-methylbutyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C22H26F3N5O2
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| Molecular Weight |
449.477
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| Canonical SMILES |
CC(C)CCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H26F3N5O2/c1-15(2)9-10-26-20(31)18-7-8-19(28-27-18)29-11-13-30(14-12-29)21(32)16-5-3-4-6-17(16)22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,31)
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| InChIKey |
NGGBGFKKADSXPM-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