General Information of the Compound
| Compound ID |
CP0349027
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| Compound Name |
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
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| Structure |
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| Formula |
C25H28FN5O
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| Molecular Weight |
433.531
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| Canonical SMILES |
CCN1CCN(Cc2cnc(c(F)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
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| InChI |
InChI=1S/C25H28FN5O/c1-2-30-11-13-31(14-12-30)17-18-15-21(26)24(28-16-18)19-7-9-20(10-8-19)25(32)29-23-6-4-3-5-22(23)27/h3-10,15-16H,2,11-14,17,27H2,1H3,(H,29,32)
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| InChIKey |
BMPPBAASXPGLJV-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