General Information of the Compound
| Compound ID |
CP0417552
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| Compound Name |
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-amine
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
CC1CN(CC(C)O1)c1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+]([O-])=O
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| InChI |
InChI=1S/C23H25N5O3/c1-16-13-27(14-17(2)31-16)23-21(28(29)30)22(24-15-25-23)26-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,20H,13-14H2,1-2H3,(H,24,25,26)
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| InChIKey |
XVCLOYOIVUAIEU-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