General Information of the Compound
| Compound ID |
CP0403190
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| Compound Name |
4-(2-fluorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C18H14FN3O2
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| Molecular Weight |
323.327
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| Canonical SMILES |
Fc1ccccc1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C18H14FN3O2/c19-15-4-2-1-3-14(15)17(23)13-9-16(21-11-13)18(24)22-10-12-5-7-20-8-6-12/h1-9,11,21H,10H2,(H,22,24)
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| InChIKey |
MIYYEGRKJFWYAD-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