General Information of the Compound
| Compound ID |
CP0542930
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| Compound Name |
3,4,5-trimethoxy-N-[N'-[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
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| Structure |
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| Formula |
C28H31N5O6
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| Molecular Weight |
533.585
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)N2CCOCC2)c1
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| InChI |
InChI=1S/C28H31N5O6/c1-36-23-15-19(16-24(37-2)25(23)38-3)27(35)32-28(29)31-21-6-4-5-20(17-21)30-26(34)18-7-9-22(10-8-18)33-11-13-39-14-12-33/h4-10,15-17H,11-14H2,1-3H3,(H,30,34)(H3,29,31,32,35)
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| InChIKey |
IXZQFNFNUONWJC-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