General Information of the Compound
| Compound ID |
CP0533238
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| Compound Name |
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
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| InChI |
InChI=1S/C24H26N4O3/c1-17-14-28(15-18(2)31-17)21-8-9-23(30-16-19-6-4-3-5-7-19)22(12-21)24(29)27-20-10-11-25-26-13-20/h3-13,17-18H,14-16H2,1-2H3,(H,25,27,29)/t17-,18+
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| InChIKey |
XLTBLSQEHAZATO-HDICACEKSA-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