General Information of the Compound
| Compound ID |
CP0470793
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| Compound Name |
6-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C21H23ClFN5O2
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| Molecular Weight |
431.899
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| Canonical SMILES |
Fc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
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| InChI |
InChI=1S/C21H23ClFN5O2/c22-17-4-3-15(23)13-16(17)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)
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| InChIKey |
LMLXNRYGWLSELC-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