General Information of the Compound
| Compound ID |
CP0542594
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| Compound Name |
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
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| Structure |
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| Formula |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(cc3)N(C)C)c2c1
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| InChI |
InChI=1S/C22H28N6O/c1-15-11-19(29-4)12-20-17(13-25-21(15)20)14-26-27-22(23)24-10-9-16-5-7-18(8-6-16)28(2)3/h5-8,11-14,25H,9-10H2,1-4H3,(H3,23,24,27)/b26-14+
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| InChIKey |
NWUAOYRCXWAFJP-VULFUBBASA-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