General Information of the Compound
| Compound ID |
CP0546057
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| Compound Name |
1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]-2-[2-(4-methoxyphenyl)ethyl]guanidine
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
COc1ccc(CCNC(=N)N\N=C\c2c[nH]c3c(C)cc(OC)cc23)cc1
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| InChI |
InChI=1S/C21H25N5O2/c1-14-10-18(28-3)11-19-16(12-24-20(14)19)13-25-26-21(22)23-9-8-15-4-6-17(27-2)7-5-15/h4-7,10-13,24H,8-9H2,1-3H3,(H3,22,23,26)/b25-13+
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| InChIKey |
SQSDLBOSEXKJHI-DHRITJCHSA-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