General Information of the Compound
Compound ID |
CP0379881
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Compound Name |
N-[N'-[[3-chloro-5-[(E)-4-hydroxybut-1-enyl]phenyl]methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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Structure |
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Formula |
C24H25ClN4O4
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Molecular Weight |
468.941
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Canonical SMILES |
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(\C=C\CCO)c1
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InChI |
InChI=1S/C24H25ClN4O4/c1-15-21(22(29-33-15)18-6-8-20(32-2)9-7-18)23(31)28-24(26)27-14-17-11-16(5-3-4-10-30)12-19(25)13-17/h3,5-9,11-13,30H,4,10,14H2,1-2H3,(H3,26,27,28,31)/b5-3+
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InChIKey |
FHMCMYUUOIHQHV-HWKANZROSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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