General Information of the Compound
| Compound ID |
CP0380629
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| Compound Name |
[4-(6-methyl-3-nitropyridin-2-yl)piperazin-1-yl]-(3-phenylphenyl)methanone
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
Cc1ccc(c(n1)N1CCN(CC1)C(=O)c1cccc(c1)-c1ccccc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H22N4O3/c1-17-10-11-21(27(29)30)22(24-17)25-12-14-26(15-13-25)23(28)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3
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| InChIKey |
UWYHWNJXCVWKRM-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