General Information of the Compound
| Compound ID |
CP0522243
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| Compound Name |
N-[N'-[3-(1H-indol-2-yl)phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H24N4O4/c1-31-21-13-17(14-22(32-2)23(21)33-3)24(30)29-25(26)27-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)28-20/h4-14,28H,1-3H3,(H3,26,27,29,30)
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| InChIKey |
YNLHOWKIBTVLJY-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