General Information of the Compound
| Compound ID |
CP0379895
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| Compound Name |
3-(4-fluorophenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C23H19FN4O2
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| Molecular Weight |
402.429
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| Canonical SMILES |
Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H19FN4O2/c1-14-20(21(28-30-14)16-9-11-18(24)12-10-16)22(29)27-23(25)26-13-17-7-4-6-15-5-2-3-8-19(15)17/h2-12H,13H2,1H3,(H3,25,26,27,29)
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| InChIKey |
VBTNJLBMOPJUGT-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