General Information of the Compound
| Compound ID |
CP0578042
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| Compound Name |
1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]-2-(2-thiophen-2-ylethyl)guanidine
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| Structure |
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| Formula |
C18H21N5OS
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| Molecular Weight |
355.467
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| Canonical SMILES |
COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3cccs3)c2c1
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| InChI |
InChI=1S/C18H21N5OS/c1-12-8-14(24-2)9-16-13(10-21-17(12)16)11-22-23-18(19)20-6-5-15-4-3-7-25-15/h3-4,7-11,21H,5-6H2,1-2H3,(H3,19,20,23)/b22-11+
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| InChIKey |
WMTNHYSNEKVIMW-SSDVNMTOSA-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