General Information of the Compound
| Compound ID |
CP0256366
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| Compound Name |
N-benzhydryl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C22H17N5O2
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| Molecular Weight |
383.411
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| Canonical SMILES |
Oc1nc(ncc1C(=O)NC(c1ccccc1)c1ccccc1)-c1cccnn1
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| InChI |
InChI=1S/C22H17N5O2/c28-21(17-14-23-20(26-22(17)29)18-12-7-13-24-27-18)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,25,28)(H,23,26,29)
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| InChIKey |
HSPPHMHXWTWUAX-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