General Information of the Compound
| Compound ID |
CP0482819
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| Compound Name |
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCCC1
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| InChI |
InChI=1S/C22H22N4O2/c27-22(25-18-10-11-23-24-15-18)20-14-19(26-12-4-5-13-26)8-9-21(20)28-16-17-6-2-1-3-7-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,23,25,27)
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| InChIKey |
NFLFGUDQEHTUPE-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