General Information of the Compound
| Compound ID |
CP0573469
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| Compound Name |
1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]-2-[2-(4-nitrophenyl)ethyl]guanidine
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| Structure |
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| Formula |
C20H22N6O3
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| Molecular Weight |
394.435
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| Canonical SMILES |
COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(cc3)[N+]([O-])=O)c2c1
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| InChI |
InChI=1S/C20H22N6O3/c1-13-9-17(29-2)10-18-15(11-23-19(13)18)12-24-25-20(21)22-8-7-14-3-5-16(6-4-14)26(27)28/h3-6,9-12,23H,7-8H2,1-2H3,(H3,21,22,25)/b24-12+
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| InChIKey |
ZLZDRAXZOZKRAE-WYMPLXKRSA-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