General Information of the Compound
| Compound ID |
CP0465301
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| Compound Name |
N-(2-cyclopropylethyl)-6-[4-[2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C20H22F3N5O3
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| Molecular Weight |
437.422
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| Canonical SMILES |
FC(F)(F)c1occc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
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| InChI |
InChI=1S/C20H22F3N5O3/c21-20(22,23)17-14(6-12-31-17)19(30)28-10-8-27(9-11-28)16-4-3-15(25-26-16)18(29)24-7-5-13-1-2-13/h3-4,6,12-13H,1-2,5,7-11H2,(H,24,29)
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| InChIKey |
RCVPUPWQGZXUEJ-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