General Information of the Compound
| Compound ID |
CP0381305
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| Compound Name |
N-[N'-[[3,5-dichloro-4-[(2-methylsulfonylacetyl)amino]phenyl]methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C23H23Cl2N5O6S
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| Molecular Weight |
568.439
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| Canonical SMILES |
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CS(C)(=O)=O)c(Cl)c1
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| InChI |
InChI=1S/C23H23Cl2N5O6S/c1-12-19(20(30-36-12)14-4-6-15(35-2)7-5-14)22(32)29-23(26)27-10-13-8-16(24)21(17(25)9-13)28-18(31)11-37(3,33)34/h4-9H,10-11H2,1-3H3,(H,28,31)(H3,26,27,29,32)
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| InChIKey |
KTCHVMAKPPIYNP-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